AG0033VR

1668-53-7 | 4-[4,6-Bis(2,4-dimethylphenyl)-5H-s-triazin-2-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one

AG0033VR

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CAS Number	1668-53-7
Catalog Number	AG0033VR(AGN-PC-0O4QG9)
Chemical Name	4-[4,6-Bis(2,4-dimethylphenyl)-5H-s-triazin-2-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one
IUPAC Name	4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
InChI	InChI=1S/C25H23N3O2/c1-14-5-8-19(16(3)11-14)23-26-24(20-9-6-15(2)12-17(20)4)28-25(27-23)21-10-7-18(29)13-22(21)30/h5-13,29-30H,1-4H3
InChI Key	FROCQMFXPIROOK-UHFFFAOYSA-N
MDL Number	MFCD16251125
Molecular Formula	C25H23N3O2
Molecular Weight	397.4690
SMILES	Cc1ccc(c(c1)C)c1nc(nc(n1)c1ccc(cc1O)O)c1ccc(cc1C)C
Synonyms	1668-53-7, 4-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)benzene-1,3-diol, 4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,3-Benzenediol, 1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-, 4-[4,6-Bis(2,4-dimethylphenyl)-5H-s-triazin-2-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one, 2-(2,4-dihydroxyphenyl)-4,6-bis(2,4-dimethylPhenyl)-1,3,5-triazine, AK102378, 1,3-Benzenediol, 4-(4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-, DBDT, AC1NUZAH, PubChem14588, ACMC-20a8om, SCHEMBL39158, DTXSID6061866, SCHEMBL15271297, CTK8B9189, FROCQMFXPIROOK-UHFFFAOYSA-N, KS-000001JZ, ZINC1995241, 8497AA, ANW-62180, MFCD16251125, AKOS015901678, TRA0021324, 4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one, AJ-32279, CJ-07300, AX8233917, DB-019753, RT-000062, D4527, FT-0689962, 148104-EP2270113A1, 148104-EP2272935A1, 148104-EP2280005A1, 148104-EP2289884A1, A810782, I14-14103, F9995-4301, 2,4-Bis(2,4-dimethylphenyl)-6-(2,4-dihydroxyphenyl)-s-triazine, 2,4-dihydroxyphenyl-4,6-bis(2,4-dimethylphenyl]-1,3,5-triazine, 2,6-bis-(2,4-dimethylphenyl)-4-(2,4-dihydroxyphenyl)-s-triazine, 2-(2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl)-s-triazine, 4,6-Bis-(2,4-dimethylphenyl)-2-(2,4-dihydroxyphenyl)-s-triazine, 1,3-Benzenediol,4-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl-, 2,4-bis(2',4'-dimethylphenyl)-6-(2',4'-dihydroxyphenyl)-1,3,5-triazine, 2,4-di-(2,4-dimethylphenyl)-6(2,4-dihydroxyphenyl)-1,3,5-triazine, 2,4-di-(2,4-dimethylphenyl)-6-(2,4-dihydroxyphenyl)-1,3,5-triazine, 2-(2,4-dihydroxy phenyl)-4,6-bis-(2,4-dime-thylphenyl)-s-triazine, 2-(2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl) 1,3,5-triazine, 2-(2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl)-1,3,5-triazine, 2-(2,4-dihydroxyphenyl)-4,6bis-(2,4-dimethylphenyl) 1,3,5-triazine, 3-Benzenediol,4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1, 4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazine-2-yl]-1,3-benzenediol, 4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone, 4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one, C25H23N3O2, AQFXADRZDKALKG-UHFFFAOYSA-N, C25-H23-N3-O2, ACN-037247, CID5464518, 3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,

Complexity	527
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	397.179g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	397.478g/mol
Monoisotopic Mass	397.179g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number