2,17,18,20-tetranaphthalen-1-yl-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetranaphthalen-1-yl-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(1-naphthyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(1-naphthalenyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetranaphthalen-1-yl-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(1-naphthyl)-21,22-dihydroporphine Formula: C60H38N4 MolecularWeight: 814.97052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C4C(=C5C(=C(C(=N5)C=C6C=CC(=N6)C=C7C=CC(=CC(=C3)N4)N7)C8=CC=CC9=CC=CC=C98)C1=CC=CC2=CC=CC=C21)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C4C(=C5C(=C(C(=N5)C=C6C=CC(=N6)C=C7C=CC(=CC(=C3)N4)N7)C8=CC=CC9=CC=CC=C98)C1=CC=CC2=CC=CC=C21)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C60H38N4/c1-5-21-46-37(13-1)17-9-25-50(46)54-35-45-34-43-30-29-41(61-43)33-42-31-32-44(62-42)36-55-56(51-26-10-18-38-14-2-6-22-47(38)51)57(52-27-11-19-39-15-3-7-23-48(39)52)60(64-55)58(59(54)63-45)53-28-12-20-40-16-4-8-24-49(40)53/h1-36,61,63H