5,7-bis[(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)amino]naphthalene-2-carbonitrile

Systemtic Name: 5,7-bis[(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)amino]naphthalene-2-carbonitrile Openeye Name: 5,7-bis(N-(2,4-dimethylphenyl)-4-isopropyl-anilino)naphthalene-2-carbonitrile CAS Name: 5,7-bis(N-(2,4-dimethylphenyl)-4-propan-2-ylanilino)-2-naphthalenecarbonitrile IUPAC Name: 5,7-bis(N-(2,4-dimethylphenyl)-4-propan-2-ylanilino)naphthalene-2-carbonitrile Traditional Name: 5,7-bis(N-(2,4-dimethylphenyl)-4-isopropyl-anilino)naphthalene-2-carbonitrile Formula: C45H45N3 MolecularWeight: 627.8589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C2=CC=C(C=C2)C(C)C)C3=CC(=C4C=CC(=CC4=C3)C#N)N(C5=CC=C(C=C5)C(C)C)C6=C(C=C(C=C6)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=CC=C(C=C2)C(C)C)C3=CC(=C4C=CC(=CC4=C3)C#N)N(C5=CC=C(C=C5)C(C)C)C6=C(C=C(C=C6)C)C)C

InChI

InChI=1S/C45H45N3/c1-29(2)36-12-16-39(17-13-36)47(43-21-9-31(5)23-33(43)7)41-26-38-25-35(28-46)11-20-42(38)45(27-41)48(44-22-10-32(6)24-34(44)8)40-18-14-37(15-19-40)30(3)4/h9-27,29-30H,1-8H3