4,7-diphenyl-2,9-bis[1-(2,4,5-trimethylphenyl)ethyl]-1,10-phenanthroline

Systemtic Name: 4,7-diphenyl-2,9-bis[1-(2,4,5-trimethylphenyl)ethyl]-1,10-phenanthroline Openeye Name: 4,7-diphenyl-2,9-bis[1-(2,4,5-trimethylphenyl)ethyl]-1,10-phenanthroline CAS Name: 4,7-diphenyl-2,9-bis[1-(2,4,5-trimethylphenyl)ethyl]-1,10-phenanthroline IUPAC Name: 4,7-diphenyl-2,9-bis[1-(2,4,5-trimethylphenyl)ethyl]-1,10-phenanthroline Traditional Name: 4,7-diphenyl-2,9-bis[1-(2,4,5-trimethylphenyl)ethyl]-1,10-phenanthroline Formula: C46H44N2 MolecularWeight: 624.85496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C(C)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C(C)C6=C(C=C(C(=C6)C)C)C)C(=C2)C7=CC=CC=C7)C

Isomeric SMILES

CC1=CC(=C(C=C1C)C(C)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C(C)C6=C(C=C(C(=C6)C)C)C)C(=C2)C7=CC=CC=C7)C

InChI

InChI=1S/C46H44N2/c1-27-21-31(5)39(23-29(27)3)33(7)43-25-41(35-15-11-9-12-16-35)37-19-20-38-42(36-17-13-10-14-18-36)26-44(48-46(38)45(37)47-43)34(8)40-24-30(4)28(2)22-32(40)6/h9-26,33-34H,1-8H3