2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile

C60H36F3N5 — CID 142501945

About 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile

2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 142501945) has the molecular formula C60H36F3N5 and a molecular weight of 883.98 g/mol. Its IUPAC name is 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

• Compound Name: 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
• PubChem CID: 142501945
• Molecular Formula: C60H36F3N5
• Molecular Weight: 883.98 g/mol
• Exact Mass: 883.29
• IUPAC Name: 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
• SMILES: N#Cc1cc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c(-c2cccc(C(F)(F)F)c2)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C60H36F3N5/c61-60(62,63)44-19-11-18-40(32-44)49-36-56(67-54-26-9-7-20-45(54)47-30-28-41(33-57(47)67)52-24-12-22-50(65-52)38-14-3-1-4-15-38)43(37-64)35-59(49)68-55-27-10-8-21-46(55)48-31-29-42(34-58(48)68)53-25-13-23-51(66-53)39-16-5-2-6-17-39/h1-36H
• InChIKey: ZZFSXYDXVSEJHH-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 59.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.98
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (CID 142501945) is 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.

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

The canonical SMILES for 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c(-c2cccc(C(F)(F)F)c2)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21.

What is the InChIKey of 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?

The InChIKey is ZZFSXYDXVSEJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F3N5/c61-60(62,63)44-19-11-18-40(32-44)49-36-56(67-54-26-9-7-20-45(54)47-30-28-41(33-57(47)67)52-24-12-22-50(65-52)38-14-3-1-4-15-38)43(37-64)35-59(49)68-55-27-10-8-21-46(55)48-31-29-42(34-58(48)68)53-25-13-23-51(66-53)39-16-5-2-6-17-39/h1-36H.

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

2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 883.98 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 142501945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).