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

C82H50F3N7 — CID 146237978

IUPAC3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2C(F)(F)F)c1
InChIInChI=1S/C82H50F3N7/c83-82(84,85)67-50-81(92-78-47-60(74-34-16-30-70(89-74)55-23-9-3-10-24-55)38-42-64(78)65-43-39-61(48-79(65)92)75-35-17-31-71(90-75)56-25-11-4-12-26-56)80(49-66(67)57-27-13-18-52(44-57)51-86)91-76-45-58(72-32-14-28-68(87-72)53-19-5-1-6-20-53)36-40-62(76)63-41-37-59(46-77(63)91)73-33-15-29-69(88-73)54-21-7-2-8-22-54/h1-50H
InChIKeyVSXFHEPRJOFSOX-UHFFFAOYSA-N
MW1190.35 g/mol
LogP21.35
Rot. Bonds11

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

3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 146237978) has the molecular formula C82H50F3N7 and a molecular weight of 1190.35 g/mol. Its IUPAC name is 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID146237978
Molecular FormulaC82H50F3N7
Molecular Weight1190.35 g/mol
Exact Mass1189.41
IUPAC Name3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2C(F)(F)F)c1
InChIInChI=1S/C82H50F3N7/c83-82(84,85)67-50-81(92-78-47-60(74-34-16-30-70(89-74)55-23-9-3-10-24-55)38-42-64(78)65-43-39-61(48-79(65)92)75-35-17-31-71(90-75)56-25-11-4-12-26-56)80(49-66(67)57-27-13-18-52(44-57)51-86)91-76-45-58(72-32-14-28-68(87-72)53-19-5-1-6-20-53)36-40-62(76)63-41-37-59(46-77(63)91)73-33-15-29-69(88-73)54-21-7-2-8-22-54/h1-50H
InChIKeyVSXFHEPRJOFSOX-UHFFFAOYSA-N
XLogP21.35
TPSA85.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.35
LogP ≤ 521.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
3-[4,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377610
3-[4,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377888
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 146892582
9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole
CID 155216770
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
5-[9-[5-(3-cyanophenyl)-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146238202
9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile
CID 146237938
9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 155216680

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile (CID 146237978) is 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2C(F)(F)F)c1.
What is the InChIKey of 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is VSXFHEPRJOFSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N7/c83-82(84,85)67-50-81(92-78-47-60(74-34-16-30-70(89-74)55-23-9-3-10-24-55)38-42-64(78)65-43-39-61(48-79(65)92)75-35-17-31-71(90-75)56-25-11-4-12-26-56)80(49-66(67)57-27-13-18-52(44-57)51-86)91-76-45-58(72-32-14-28-68(87-72)53-19-5-1-6-20-53)36-40-62(76)63-41-37-59(46-77(63)91)73-33-15-29-69(88-73)54-21-7-2-8-22-54/h1-50H.
What are the key properties of 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile?
3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1190.35 g/mol, XLogP of 21.35, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 146237978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).