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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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