3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile

C83H52F3N7 — CID 161279669

About 3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile

3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 161279669) has the molecular formula C83H52F3N7 and a molecular weight of 1204.37 g/mol. Its IUPAC name is 3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile
• PubChem CID: 161279669
• Molecular Formula: C83H52F3N7
• Molecular Weight: 1204.37 g/mol
• Exact Mass: 1203.42
• IUPAC Name: 3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile
• SMILES: Cc1cccc(C(F)(F)F)c1-c1c(-n2c3cc(-c4ccncc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)cc(C#N)cc1-n1c2cc(-c3cccnc3-c3ccccc3)ccc2c2ccc(-c3cccnc3-c3ccccc3)cc21
• InChI: InChI=1S/C83H52F3N7/c1-52-18-14-30-71(83(84,85)86)78(52)79-76(92-72-46-58(62-39-43-88-51-70(62)54-19-6-2-7-20-54)31-35-66(72)67-36-32-59(47-73(67)92)63-27-15-40-89-80(63)55-21-8-3-9-22-55)44-53(50-87)45-77(79)93-74-48-60(64-28-16-41-90-81(64)56-23-10-4-11-24-56)33-37-68(74)69-38-34-61(49-75(69)93)65-29-17-42-91-82(65)57-25-12-5-13-26-57/h2-49,51H,1H3
• InChIKey: VPDQULVWJZBLON-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 85.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.37
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile (CID 161279669) is 3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile.

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

The canonical SMILES for 3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile is Cc1cccc(C(F)(F)F)c1-c1c(-n2c3cc(-c4ccncc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)cc(C#N)cc1-n1c2cc(-c3cccnc3-c3ccccc3)ccc2c2ccc(-c3cccnc3-c3ccccc3)cc21.

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

The InChIKey is VPDQULVWJZBLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H52F3N7/c1-52-18-14-30-71(83(84,85)86)78(52)79-76(92-72-46-58(62-39-43-88-51-70(62)54-19-6-2-7-20-54)31-35-66(72)67-36-32-59(47-73(67)92)63-27-15-40-89-80(63)55-21-8-3-9-22-55)44-53(50-87)45-77(79)93-74-48-60(64-28-16-41-90-81(64)56-23-10-4-11-24-56)33-37-68(74)69-38-34-61(49-75(69)93)65-29-17-42-91-82(65)57-25-12-5-13-26-57/h2-49,51H,1H3.

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

3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 1204.37 g/mol, XLogP of 21.66, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 161279669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).