2,17,18,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin

Systemtic Name: 2,17,18,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin Openeye Name: 2,17,18,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin CAS Name: 2,17,18,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin IUPAC Name: 2,17,18,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin Traditional Name: 2,17,18,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphine Formula: C44H34N4 MolecularWeight: 618.76756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC1=CC3=C(C(=C(N3)C(=C4C(CC(=N4)C=C5C=CC(=C2)N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1CC2=NC1=CC3=C(C(=C(N3)C(=C4C(CC(=N4)C=C5C=CC(=C2)N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C44H34N4/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32/h1-22,25-26,28,38,45,48H,23-24,27H2