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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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