2,12,13-trimethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2,12,13-trimethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2,12,13-trimethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2,12,13-trimethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2,12,13-trimethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2,12,13-trimethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C47H36N4 MolecularWeight: 656.81554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=CC(=N3)C(=C4C(=C(C(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C)C)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CC1=C2C(=C3C=CC(=N3)C(=C4C(=C(C(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C)C)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C47H36N4/c1-29-28-40-41(32-16-8-4-9-17-32)36-24-25-38(48-36)43(34-20-12-6-13-21-34)46-30(2)31(3)47(51-46)44(35-22-14-7-15-23-35)39-27-26-37(49-39)42(45(29)50-40)33-18-10-5-11-19-33/h4-28,48,50H,1-3H3