5,10,15,20-tetraphenyl-2-prop-2-enyl-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetraphenyl-2-prop-2-enyl-21,22-dihydroporphyrin Openeye Name: 2-allyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetraphenyl-2-prop-2-enyl-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetraphenyl-2-prop-2-enyl-21,22-dihydroporphyrin Traditional Name: 2-allyl-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C47H34N4 MolecularWeight: 654.79966

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C=CCC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C47H34N4/c1-2-15-35-30-42-45(33-20-11-5-12-21-33)40-27-26-38(49-40)43(31-16-7-3-8-17-31)36-24-25-37(48-36)44(32-18-9-4-10-19-32)39-28-29-41(50-39)46(47(35)51-42)34-22-13-6-14-23-34/h2-14,16-30,49,51H,1,15H2