2,6-diphenylphenol; 1-methanidyl-4-methyl-benzene; niobium(3+)

Systemtic Name: 2,6-diphenylphenol; 1-methanidyl-4-methyl-benzene; niobium(3+) Openeye Name: 2,6-diphenylphenol; 1-methanidyl-4-methyl-benzene; niobium(3+) CAS Name: 2,6-diphenylphenol; 1-methanidyl-4-methylbenzene; niobium(3+) IUPAC Name: 2,6-diphenylphenol; 1-methanidyl-4-methylbenzene; niobium(3+) Traditional Name: 2,6-diphenylphenol; 1-methanidyl-4-methyl-benzene; niobium(3+) Formula: C60H55NbO2 MolecularWeight: 900.98388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[CH2-].CC1=CC=C(C=C1)[CH2-].CC1=CC=C(C=C1)[CH2-].C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.[Nb+3]

Isomeric SMILES

CC1=CC=C(C=C1)[CH2-].CC1=CC=C(C=C1)[CH2-].CC1=CC=C(C=C1)[CH2-].C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.[Nb+3]

InChI

InChI=1S/2C18H14O.3C8H9.Nb/c2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*1-7-3-5-8(2)6-4-7;/h2*1-13,19H;3*3-6H,1H2,2H3;/q;;3*-1;+3