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

C83H49F3N8 — CID 137381531

IUPAC3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
InChIInChI=1S/C83H49F3N8/c84-83(85,86)70-23-13-22-61(47-88)81(70)82-79(93-75-42-57(62-28-36-71(89-48-62)53-14-5-1-6-15-53)24-32-66(75)67-33-25-58(43-76(67)93)63-29-37-72(90-49-63)54-16-7-2-8-17-54)40-52(46-87)41-80(82)94-77-44-59(64-30-38-73(91-50-64)55-18-9-3-10-19-55)26-34-68(77)69-35-27-60(45-78(69)94)65-31-39-74(92-51-65)56-20-11-4-12-21-56/h1-45,48-51H
InChIKeyAYHNTMUJQQSWRP-UHFFFAOYSA-N
MW1215.36 g/mol
LogP21.23
Rot. Bonds11

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

3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137381531) has the molecular formula C83H49F3N8 and a molecular weight of 1215.36 g/mol. Its IUPAC name is 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137381531
Molecular FormulaC83H49F3N8
Molecular Weight1215.36 g/mol
Exact Mass1214.40
IUPAC Name3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
InChIInChI=1S/C83H49F3N8/c84-83(85,86)70-23-13-22-61(47-88)81(70)82-79(93-75-42-57(62-28-36-71(89-48-62)53-14-5-1-6-15-53)24-32-66(75)67-33-25-58(43-76(67)93)63-29-37-72(90-49-63)54-16-7-2-8-17-54)40-52(46-87)41-80(82)94-77-44-59(64-30-38-73(91-50-64)55-18-9-3-10-19-55)26-34-68(77)69-35-27-60(45-78(69)94)65-31-39-74(92-51-65)56-20-11-4-12-21-56/h1-45,48-51H
InChIKeyAYHNTMUJQQSWRP-UHFFFAOYSA-N
XLogP21.23
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.36
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-5-[2-(5-phenyl-2-pyridinyl)-7-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 163947146
4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137392575
3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381509
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427516
4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 162110068
3,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 162610621
2,6-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508590
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377806
3,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382189
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 137392780
2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465932
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 142508821

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile (CID 137381531) is 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.
What is the InChIKey of 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is AYHNTMUJQQSWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49F3N8/c84-83(85,86)70-23-13-22-61(47-88)81(70)82-79(93-75-42-57(62-28-36-71(89-48-62)53-14-5-1-6-15-53)24-32-66(75)67-33-25-58(43-76(67)93)63-29-37-72(90-49-63)54-16-7-2-8-17-54)40-52(46-87)41-80(82)94-77-44-59(64-30-38-73(91-50-64)55-18-9-3-10-19-55)26-34-68(77)69-35-27-60(45-78(69)94)65-31-39-74(92-51-65)56-20-11-4-12-21-56/h1-45,48-51H.
What are the key properties of 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1215.36 g/mol, XLogP of 21.23, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137381531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).