2-buta-1,3-dien-2-yl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-buta-1,3-dien-2-yl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-(1-methyleneallyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-buta-1,3-dien-2-yl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-buta-1,3-dien-2-yl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-(1-methyleneallyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C48H34N4 MolecularWeight: 666.81036

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=C)C1=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=CC(=C)C1=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/C48H34N4/c1-3-31(2)36-30-43-46(34-20-12-6-13-21-34)41-27-26-39(50-41)44(32-16-8-4-9-17-32)37-24-25-38(49-37)45(33-18-10-5-11-19-33)40-28-29-42(51-40)47(48(36)52-43)35-22-14-7-15-23-35/h3-30,50,52H,1-2H2