10-[4-(3-bromanylpropoxy)phenyl]-20-(4-methylphenyl)-15-phenyl-21,22-dihydroporphyrin

Systemtic Name: 10-[4-(3-bromanylpropoxy)phenyl]-20-(4-methylphenyl)-15-phenyl-21,22-dihydroporphyrin Openeye Name: 10-[4-(3-bromopropoxy)phenyl]-15-phenyl-20-(p-tolyl)-21,22-dihydroporphyrin CAS Name: 10-[4-(3-bromopropoxy)phenyl]-20-(4-methylphenyl)-15-phenyl-21,22-dihydroporphyrin IUPAC Name: 10-[4-(3-bromopropoxy)phenyl]-20-(4-methylphenyl)-15-phenyl-21,22-dihydroporphyrin Traditional Name: 10-[4-(3-bromopropoxy)phenyl]-15-phenyl-20-(p-tolyl)-21,22-dihydroporphine Formula: C42H33BrN4O MolecularWeight: 689.64162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)OCCCBr)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)OCCCBr)N3

InChI

InChI=1S/C42H33BrN4O/c1-27-8-10-29(11-9-27)41-34-18-14-31(44-34)26-32-15-19-35(45-32)42(30-12-16-33(17-13-30)48-25-5-24-43)39-23-21-37(47-39)40(28-6-3-2-4-7-28)36-20-22-38(41)46-36/h2-4,6-23,26,44-45H,5,24-25H2,1H3