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

Systemtic Name: 2-hexyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin Openeye Name: 2-hexyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin CAS Name: 2-hexyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin IUPAC Name: 2-hexyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin Traditional Name: 2-hexyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphine Formula: C50H44N4 MolecularWeight: 700.91116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC2=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

CCCCCCC1CC2=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/C50H44N4/c1-2-3-4-9-26-38-33-45-48(36-22-14-7-15-23-36)43-30-29-41(52-43)46(34-18-10-5-11-19-34)39-27-28-40(51-39)47(35-20-12-6-13-21-35)42-31-32-44(53-42)49(50(38)54-45)37-24-16-8-17-25-37/h5-8,10-25,27-32,38,52-53H,2-4,9,26,33H2,1H3