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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6CCC(CC6C)C)C(=C2)C7=CC=CC=C7

Isomeric SMILES

CC1CCC(C(C1)C)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6CCC(CC6C)C)C(=C2)C7=CC=CC=C7

InChI

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