10-(4-tert-butylphenyl)-20-(4-methoxyphenyl)-15-(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin

Systemtic Name: 10-(4-tert-butylphenyl)-20-(4-methoxyphenyl)-15-(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin Openeye Name: 10-(4-tert-butylphenyl)-20-(4-methoxyphenyl)-5-phenyl-15-(p-tolyl)-21,22-dihydroporphyrin CAS Name: 10-(4-tert-butylphenyl)-20-(4-methoxyphenyl)-15-(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin IUPAC Name: 10-(4-tert-butylphenyl)-20-(4-methoxyphenyl)-15-(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin Traditional Name: 10-(4-tert-butylphenyl)-20-(4-methoxyphenyl)-5-phenyl-15-(p-tolyl)-21,22-dihydroporphine Formula: C50H42N4O MolecularWeight: 714.89468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=CC=C8)N4)C9=CC=C(C=C9)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=CC=C8)N4)C9=CC=C(C=C9)C(C)(C)C

InChI

InChI=1S/C50H42N4O/c1-31-11-13-33(14-12-31)47-40-27-29-43(53-40)48(34-15-19-36(20-16-34)50(2,3)4)42-25-23-38(51-42)46(32-9-7-6-8-10-32)39-24-26-44(52-39)49(45-30-28-41(47)54-45)35-17-21-37(55-5)22-18-35/h6-30,51-52H,1-5H3