15-but-3-enyl-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-but-3-enyl-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-but-3-enyl-5,10,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 15-but-3-enyl-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-but-3-enyl-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-but-3-enyl-5,10,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C45H38N4 MolecularWeight: 634.81002

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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)CCC=C)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)CCC=C)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N3

InChI

InChI=1S/C45H38N4/c1-5-6-7-34-35-20-22-37(46-35)43(31-14-8-28(2)9-15-31)39-24-26-41(48-39)45(33-18-12-30(4)13-19-33)42-27-25-40(49-42)44(38-23-21-36(34)47-38)32-16-10-29(3)11-17-32/h5,8-27,48-49H,1,6-7H2,2-4H3