3,3-dipentoxy-5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2-one

Systemtic Name: 3,3-dipentoxy-5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2-one Openeye Name: 3,3-dipentoxy-5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2-one CAS Name: 3,3-dipentoxy-5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2-one IUPAC Name: 3,3-dipentoxy-5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2-one Traditional Name: 3,3-diamoxy-5,10,15,20-tetraphenyl-22,23-dihydroporphin-2-one Formula: C54H50N4O3 MolecularWeight: 802.9998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1(C2=C(C3=CC=C(N3)C(=C4C=CC(=C(C5=NC(=C(C(=N2)C1=O)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)N4)C8=CC=CC=C8)C9=CC=CC=C9)OCCCCC

Isomeric SMILES

CCCCCOC1(C2=C(C3=CC=C(N3)C(=C4C=CC(=C(C5=NC(=C(C(=N2)C1=O)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)N4)C8=CC=CC=C8)C9=CC=CC=C9)OCCCCC

InChI

InChI=1S/C54H50N4O3/c1-3-5-19-35-60-54(61-36-20-6-4-2)52-50(40-27-17-10-18-28-40)46-34-32-44(57-46)48(38-23-13-8-14-24-38)42-30-29-41(55-42)47(37-21-11-7-12-22-37)43-31-33-45(56-43)49(51(58-52)53(54)59)39-25-15-9-16-26-39/h7-18,21-34,55,57H,3-6,19-20,35-36H2,1-2H3