AG002BJS

198479-63-9 | 1H-Indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-

AG002BJS

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CAS Number	198479-63-9
Catalog Number	AG002BJS(AGN-PC-0L0LLY)
Chemical Name	1H-Indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-
EC Number	926-072-1
IUPAC Name	3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole
InChI	InChI=1S/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3
InChI Key	KRIJKJMYOVWRSJ-UHFFFAOYSA-N
MDL Number	MFCD04004106
Molecular Formula	C29H25NO2
Molecular Weight	419.5143
SMILES	CC1=C(C2=CC=C(OCC3=CC=CC=C3)C=C2)NC4=C1C=C(OCC5=CC=CC=C5)C=C4
Synonyms	198479-63-9, 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole, 3-METHYL-5-(PHENYLMETHOXY)-2-[4-(PHENYLMETHOXY)PHENYL]-1H-INDOLE, 5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole, 3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole, 1H-Indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-, 5-(benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1H-indole, AK112421, Q-102026, 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1H-indole, 1H-Indole,3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-, KRIJKJMYOVWRSJ-UHFFFAOYSA-N, PubChem21386, AC1MY1DY, SCHEMBL102598, C29H25NO2, CTK4E2537, DTXSID30396923, BCP08614, KS-00000NO6, ZINC2522382, MFCD04004106, RW3482, AKOS000282525, AM84680, CM-2219, MCULE-2245111268, QC-2323, SS-3549, ACM198479639, AJ-37203, AN-16118, BC228168, AB0001054, AX8088088, DB-014532, ST2406014, 4CH-019207, CS-0036252, FT-0672185, Y1224, W-3908, 3-Methyl-5-benzyloxy-2-(4-benzyloxyphenyl)indole, 479M639, I10-0755, 5-benzyloxy-2-(4-benzyloxy phenyl)-3-methyl-1H-indole, 5-Benzyloxy-2-(4benzyloxy-phenyl)-3-methyl-1H-indole, AC-114, ACN-030059, CID3824745, A4349, 119257-33-9,

Complexity	547
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	419.189g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	419.524g/mol
Monoisotopic Mass	419.189g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	34.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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