AG003M8B

56396-12-4 | 5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)-21h,23h-porphine

AG003M8B

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CAS Number	56396-12-4
Catalog Number	AG003M8B(AGN-PC-0OCD98)
Chemical Name	5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)-21h,23h-porphine
IUPAC Name	5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
InChI	InChI=1S/C56H54N4/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10/h13-28,57,60H,1-12H3
InChI Key	KBIOUJDBIXSYJT-UHFFFAOYSA-N
MDL Number	MFCD01321200
Molecular Formula	C56H54N4
Molecular Weight	783.0548
SMILES	CC1=C(C2=C3C=CC(C(C4=C(C)C=C(C)C=C4C)=C(N5)C=CC5=C(C6=C(C)C=C(C)C=C6C)C7=NC(C=C7)=C(C8=C(C)C=C(C)C=C8C)C9=CC=C2N9)=N3)C(C)=CC(C)=C1
Synonyms	56396-12-4, 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin, tetramesitylporphyrin, 5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)-21H,23H-porphine, meso-tetra(2,4,6-trimethylphenyl)porphyrin, 2,7,12,17-Tetrakis(2,4,6-trimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1,6.18,.1,6]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, Tetrakistrimethylphenylporphin, SCHEMBL949016, ACMC-1B121, CHEBI:52278, CTK1G8309, KBIOUJDBIXSYJT-UHFFFAOYSA-N, KS-000016VG, ANW-32502, CT-490, MFCD01321200, AKOS015842212, AKOS025394752, 5-10-15-20-(tetramesityl)porphyrin, DL-0709, TR-019803, 396T124, I14-92894, 5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)-21H,23H-porphin, (5Z,10Z,14Z,19Z)-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin, 2,7,12,17-tetrakis(2,4,6-trimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, 2,7,12,17-Tetrakis(2,4,6-trimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, ACN-032434, T1729, meso-Tetrakis(2,4,6-trimethylphenyl)porphine deriv, 5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)-21,23H-porphine,

Complexity	1160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	782.435g/mol
Formal Charge	0
Heavy Atom Count	60
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	783.076g/mol
Monoisotopic Mass	782.435g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	14.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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