1-butyl-6-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]pyrimidine-2,4-dione

Systemtic Name: 1-butyl-6-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]pyrimidine-2,4-dione Openeye Name: 1-butyl-6-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]pyrimidine-2,4-dione CAS Name: 1-butyl-6-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]pyrimidine-2,4-dione IUPAC Name: 1-butyl-6-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]pyrimidine-2,4-dione Traditional Name: 1-butyl-6-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphin-5-yl]pyrimidine-2,4-quinone Formula: C58H60N6O2 MolecularWeight: 873.136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=O)NC1=O)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)C(C)(C)C)N4)C9=CC=C(C=C9)C(C)(C)C

Isomeric SMILES

CCCCN1C(=CC(=O)NC1=O)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)C(C)(C)C)N4)C9=CC=C(C=C9)C(C)(C)C

InChI

InChI=1S/C58H60N6O2/c1-11-12-33-64-49(34-50(65)63-55(64)66)54-47-31-29-45(61-47)52(36-15-21-39(22-16-36)57(5,6)7)43-27-25-41(59-43)51(35-13-19-38(20-14-35)56(2,3)4)42-26-28-44(60-42)53(46-30-32-48(54)62-46)37-17-23-40(24-18-37)58(8,9)10/h13-32,34,59-60H,11-12,33H2,1-10H3,(H,63,65,66)