2,9-bis(2,6-diethylphenyl)-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis(2,6-diethylphenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2,6-diethylphenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2,6-diethylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2,6-diethylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2,6-diethylphenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C44H40N2 MolecularWeight: 596.8018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C=CC=C6CC)CC)C(=C2)C7=CC=CC=C7

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C=CC=C6CC)CC)C(=C2)C7=CC=CC=C7

InChI

InChI=1S/C44H40N2/c1-5-29-21-15-22-30(6-2)41(29)39-27-37(33-17-11-9-12-18-33)35-25-26-36-38(34-19-13-10-14-20-34)28-40(46-44(36)43(35)45-39)42-31(7-3)23-16-24-32(42)8-4/h9-28H,5-8H2,1-4H3