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

Systemtic Name: 2,9-bis(2-ethylcyclohexyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2-ethylcyclohexyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2-ethylcyclohexyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2-ethylcyclohexyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2-ethylcyclohexyl)-4,7-diphenyl-1,10-phenanthroline Formula: C40H44N2 MolecularWeight: 552.79076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCC1C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6CCCCC6CC)C(=C2)C7=CC=CC=C7

Isomeric SMILES

CCC1CCCCC1C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6CCCCC6CC)C(=C2)C7=CC=CC=C7

InChI

InChI=1S/C40H44N2/c1-3-27-15-11-13-21-31(27)37-25-35(29-17-7-5-8-18-29)33-23-24-34-36(30-19-9-6-10-20-30)26-38(42-40(34)39(33)41-37)32-22-14-12-16-28(32)4-2/h5-10,17-20,23-28,31-32H,3-4,11-16,21-22H2,1-2H3