3-methylaniline; 1,3,5-tris(4-phenylphenyl)benzene

Systemtic Name: 3-methylaniline; 1,3,5-tris(4-phenylphenyl)benzene Openeye Name: 3-methylaniline; 1,3,5-tris(4-phenylphenyl)benzene CAS Name: 3-methylaniline; 1,3,5-tris(4-phenylphenyl)benzene IUPAC Name: 3-methylaniline; 1,3,5-tris(4-phenylphenyl)benzene Traditional Name: m-toluidine; 1,3,5-tris(4-phenylphenyl)benzene Formula: C49H39N MolecularWeight: 641.84066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N.C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC=C1)N.C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C42H30.C7H9N/c1-4-10-31(11-5-1)34-16-22-37(23-17-34)40-28-41(38-24-18-35(19-25-38)32-12-6-2-7-13-32)30-42(29-40)39-26-20-36(21-27-39)33-14-8-3-9-15-33;1-6-3-2-4-7(8)5-6/h1-30H;2-5H,8H2,1H3