2-phenyl-4-[(10,15,20-trihexyl-23,24-dihydroporphyrin-5-yl)methyl]cyclopent-2-en-1-one

Systemtic Name: 2-phenyl-4-[(10,15,20-trihexyl-23,24-dihydroporphyrin-5-yl)methyl]cyclopent-2-en-1-one Openeye Name: 2-phenyl-4-[(10,15,20-trihexyl-23,24-dihydroporphyrin-5-yl)methyl]cyclopent-2-en-1-one CAS Name: 2-phenyl-4-[(10,15,20-trihexyl-23,24-dihydroporphyrin-5-yl)methyl]-1-cyclopent-2-enone IUPAC Name: 2-phenyl-4-[(10,15,20-trihexyl-23,24-dihydroporphyrin-5-yl)methyl]cyclopent-2-en-1-one Traditional Name: 2-phenyl-4-[(10,15,20-trihexyl-23,24-dihydroporphin-5-yl)methyl]cyclopent-2-en-1-one Formula: C50H60N4O MolecularWeight: 733.0376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CC6CC(=O)C(=C6)C7=CC=CC=C7)CCCCCC)CCCCCC)N2

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CC6CC(=O)C(=C6)C7=CC=CC=C7)CCCCCC)CCCCCC)N2

InChI

InChI=1S/C50H60N4O/c1-4-7-10-16-21-37-42-24-26-44(51-42)38(22-17-11-8-5-2)46-28-30-48(53-46)41(33-35-32-40(50(55)34-35)36-19-14-13-15-20-36)49-31-29-47(54-49)39(23-18-12-9-6-3)45-27-25-43(37)52-45/h13-15,19-20,24-32,35,51-52H,4-12,16-18,21-23,33-34H2,1-3H3