tris[3,5-bis(2,6-dimethylphenyl)phenyl]phosphane

Systemtic Name: tris[3,5-bis(2,6-dimethylphenyl)phenyl]phosphane Openeye Name: tris[3,5-bis(2,6-dimethylphenyl)phenyl]phosphane CAS Name: tris[3,5-bis(2,6-dimethylphenyl)phenyl]phosphine IUPAC Name: tris[3,5-bis(2,6-dimethylphenyl)phenyl]phosphane Traditional Name: tris[3,5-bis(2,6-dimethylphenyl)phenyl]phosphine Formula: C66H63P MolecularWeight: 887.180181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC(=CC(=C2)P(C3=CC(=CC(=C3)C4=C(C=CC=C4C)C)C5=C(C=CC=C5C)C)C6=CC(=CC(=C6)C7=C(C=CC=C7C)C)C8=C(C=CC=C8C)C)C9=C(C=CC=C9C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC(=CC(=C2)P(C3=CC(=CC(=C3)C4=C(C=CC=C4C)C)C5=C(C=CC=C5C)C)C6=CC(=CC(=C6)C7=C(C=CC=C7C)C)C8=C(C=CC=C8C)C)C9=C(C=CC=C9C)C

InChI

InChI=1S/C66H63P/c1-40-19-13-20-41(2)61(40)52-31-53(62-42(3)21-14-22-43(62)4)35-58(34-52)67(59-36-54(63-44(5)23-15-24-45(63)6)32-55(37-59)64-46(7)25-16-26-47(64)8)60-38-56(65-48(9)27-17-28-49(65)10)33-57(39-60)66-50(11)29-18-30-51(66)12/h13-39H,1-12H3