4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline

Systemtic Name: 4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline Openeye Name: 4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline CAS Name: 4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline IUPAC Name: 4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline Traditional Name: 4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline Formula: C48H48N2 MolecularWeight: 652.90812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C(=C(C=C6)CC)CC)CC)C(=C2)C7=CC=CC=C7)CC)CC

Isomeric SMILES

CCC1=C(C(=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C(=C(C=C6)CC)CC)CC)C(=C2)C7=CC=CC=C7)CC)CC

InChI

InChI=1S/C48H48N2/c1-7-31-23-25-39(37(11-5)35(31)9-3)45-29-43(33-19-15-13-16-20-33)41-27-28-42-44(34-21-17-14-18-22-34)30-46(50-48(42)47(41)49-45)40-26-24-32(8-2)36(10-4)38(40)12-6/h13-30H,7-12H2,1-6H3