2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole

C84H60F9N5 — CID 159646569

About 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole

2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole (PubChem CID 159646569) has the molecular formula C84H60F9N5 and a molecular weight of 1310.42 g/mol. Its IUPAC name is 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole.

Molecular Properties

• Compound Name: 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
• PubChem CID: 159646569
• Molecular Formula: C84H60F9N5
• Molecular Weight: 1310.42 g/mol
• Exact Mass: 1309.47
• IUPAC Name: 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
• SMILES: Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4ccccc4C(F)(F)F)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C#N)c2c1.Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4ccccc4C(F)(F)F)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1
• InChI: InChI=1S/C42H30F6N2.C42H30F3N3/c1-23-9-13-29-30-14-10-24(2)18-35(30)49(34(29)17-23)38-21-27(28-7-5-6-8-33(28)41(43,44)45)22-39(40(38)42(46,47)48)50-36-19-25(3)11-15-31(36)32-16-12-26(4)20-37(32)50;1-24-9-13-30-31-14-10-25(2)18-37(31)47(36(30)17-24)40-21-28(29-7-5-6-8-35(29)42(43,44)45)22-41(34(40)23-46)48-38-19-26(3)11-15-32(38)33-16-12-27(4)20-39(33)48/h5-22H,1-4H3;5-22H,1-4H3
• InChIKey: MRAMOBWZXOZXLI-UHFFFAOYSA-N
• XLogP: 24.49
• TPSA: 43.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1310.42
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole?

The IUPAC name of 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole (CID 159646569) is 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole.

What is the SMILES notation for 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole?

The canonical SMILES for 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole is Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4ccccc4C(F)(F)F)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C#N)c2c1.Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4ccccc4C(F)(F)F)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1.

What is the InChIKey of 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole?

The InChIKey is MRAMOBWZXOZXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F6N2.C42H30F3N3/c1-23-9-13-29-30-14-10-24(2)18-35(30)49(34(29)17-23)38-21-27(28-7-5-6-8-33(28)41(43,44)45)22-39(40(38)42(46,47)48)50-36-19-25(3)11-15-31(36)32-16-12-26(4)20-37(32)50;1-24-9-13-30-31-14-10-25(2)18-37(31)47(36(30)17-24)40-21-28(29-7-5-6-8-35(29)42(43,44)45)22-41(34(40)23-46)48-38-19-26(3)11-15-32(38)33-16-12-27(4)20-39(33)48/h5-22H,1-4H3;5-22H,1-4H3.

What are the key properties of 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole?

2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole has a molecular weight of 1310.42 g/mol, XLogP of 24.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole is sourced from PubChem (CID 159646569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).