2-butyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin

Systemtic Name: 2-butyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin Openeye Name: 2-butyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin CAS Name: 2-butyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin IUPAC Name: 2-butyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin Traditional Name: 2-butyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphine Formula: C48H40N4 MolecularWeight: 672.858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCCCC1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C48H40N4/c1-2-3-16-36-31-43-46(34-21-12-6-13-22-34)41-28-27-39(50-41)44(32-17-8-4-9-18-32)37-25-26-38(49-37)45(33-19-10-5-11-20-33)40-29-30-42(51-40)47(48(36)52-43)35-23-14-7-15-24-35/h4-15,17-30,36,50-51H,2-3,16,31H2,1H3