3-ethynyl-2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline

Systemtic Name: 3-ethynyl-2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline Openeye Name: 3-ethynyl-2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline CAS Name: 3-ethynyl-2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline IUPAC Name: 3-ethynyl-2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline Traditional Name: 3-ethynyl-2,9-dimesityl-1,10-phenanthroline Formula: C32H28N2 MolecularWeight: 440.57812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NC3=C(C=CC4=C3N=C(C(=C4)C#C)C5=C(C=C(C=C5C)C)C)C=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NC3=C(C=CC4=C3N=C(C(=C4)C#C)C5=C(C=C(C=C5C)C)C)C=C2)C

InChI

InChI=1S/C32H28N2/c1-8-24-17-26-10-9-25-11-12-27(28-20(4)13-18(2)14-21(28)5)33-31(25)32(26)34-30(24)29-22(6)15-19(3)16-23(29)7/h1,9-17H,2-7H3