10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,20-diamyl-5,15-dimesityl-21,22-dihydroporphine Formula: C48H54N4 MolecularWeight: 686.96916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=C(C=C(C=C6C)C)C)CCCCC)C7=C(C=C(C=C7C)C)C)N2

Isomeric SMILES

CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=C(C=C(C=C6C)C)C)CCCCC)C7=C(C=C(C=C7C)C)C)N2

InChI

InChI=1S/C48H54N4/c1-9-11-13-15-35-37-17-21-41(49-37)47(45-31(5)25-29(3)26-32(45)6)43-23-19-39(51-43)36(16-14-12-10-2)40-20-24-44(52-40)48(42-22-18-38(35)50-42)46-33(7)27-30(4)28-34(46)8/h17-28,49,51H,9-16H2,1-8H3