10-bromanyl-7,7-dimethyl-N2,N12-diphenyl-15-(2,4,6-trimethylphenyl)-21,24-dihydro-8H-porphyrin-2,12-dicarboxamide

Systemtic Name: 10-bromanyl-7,7-dimethyl-N2,N12-diphenyl-15-(2,4,6-trimethylphenyl)-21,24-dihydro-8H-porphyrin-2,12-dicarboxamide Openeye Name: 10-bromo-7,7-dimethyl-N2,N12-diphenyl-15-(2,4,6-trimethylphenyl)-21,24-dihydro-8H-porphyrin-2,12-dicarboxamide CAS Name: 10-bromo-7,7-dimethyl-N2,N12-diphenyl-15-(2,4,6-trimethylphenyl)-21,24-dihydro-8H-porphyrin-2,12-dicarboxamide IUPAC Name: 10-bromo-7,7-dimethyl-2-N,12-N-diphenyl-15-(2,4,6-trimethylphenyl)-21,24-dihydro-8H-porphyrin-2,12-dicarboxamide Traditional Name: 10-bromo-15-mesityl-7,7-dimethyl-N,N'-diphenyl-21,24-dihydro-8H-porphine-2,12-dicarboxamide Formula: C45H39BrN6O2 MolecularWeight: 775.73416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=C(C=C(N4)C=C5C(CC(=N5)C(=C6C(=CC2=N6)C(=O)NC7=CC=CC=C7)Br)(C)C)C(=O)NC8=CC=CC=C8)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=C(C=C(N4)C=C5C(CC(=N5)C(=C6C(=CC2=N6)C(=O)NC7=CC=CC=C7)Br)(C)C)C(=O)NC8=CC=CC=C8)N3)C

InChI

InChI=1S/C45H39BrN6O2/c1-25-18-26(2)39(27(3)19-25)40-34-17-16-30(47-34)21-35-32(43(53)49-28-12-8-6-9-13-28)20-31(48-35)22-38-45(4,5)24-37(51-38)41(46)42-33(23-36(40)52-42)44(54)50-29-14-10-7-11-15-29/h6-23,47-48H,24H2,1-5H3,(H,49,53)(H,50,54)