15-bromanyl-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-bromanyl-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-bromo-5,10,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 15-bromo-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-bromo-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-bromo-5,10,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C41H31BrN4 MolecularWeight: 659.61564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N3

InChI

InChI=1S/C41H31BrN4/c1-24-4-10-27(11-5-24)38-30-16-18-32(43-30)39(28-12-6-25(2)7-13-28)34-20-22-36(45-34)41(42)37-23-21-35(46-37)40(33-19-17-31(38)44-33)29-14-8-26(3)9-15-29/h4-23,43-44H,1-3H3