2,9-bis(2,8-dimethylnaphthalen-1-yl)-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis(2,8-dimethylnaphthalen-1-yl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2,8-dimethyl-1-naphthyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2,8-dimethyl-1-naphthalenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2,8-dimethylnaphthalen-1-yl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2,8-dimethyl-1-naphthyl)-4,7-diphenyl-1,10-phenanthroline Formula: C48H36N2 MolecularWeight: 640.81284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2C)C=C1)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C=CC8=C7C(=CC=C8)C)C)C(=C3)C9=CC=CC=C9

Isomeric SMILES

CC1=C(C2=C(C=CC=C2C)C=C1)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C=CC8=C7C(=CC=C8)C)C)C(=C3)C9=CC=CC=C9

InChI

InChI=1S/C48H36N2/c1-29-13-11-19-35-23-21-31(3)45(43(29)35)41-27-39(33-15-7-5-8-16-33)37-25-26-38-40(34-17-9-6-10-18-34)28-42(50-48(38)47(37)49-41)46-32(4)22-24-36-20-12-14-30(2)44(36)46/h5-28H,1-4H3