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

C82H50F3N7 — CID 155377671

IUPAC3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c2)c1
InChIInChI=1S/C82H50F3N7/c83-82(84,85)81-79(91-75-28-24-58(62-32-36-87-71(45-62)53-15-5-1-6-16-53)41-67(75)68-42-59(25-29-76(68)91)63-33-37-88-72(46-63)54-17-7-2-8-18-54)49-66(57-23-13-14-52(40-57)51-86)50-80(81)92-77-30-26-60(64-34-38-89-73(47-64)55-19-9-3-10-20-55)43-69(77)70-44-61(27-31-78(70)92)65-35-39-90-74(48-65)56-21-11-4-12-22-56/h1-50H
InChIKeyUHWJLPLKPMAVRH-UHFFFAOYSA-N
MW1190.35 g/mol
LogP21.35
Rot. Bonds11

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

3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 155377671) has the molecular formula C82H50F3N7 and a molecular weight of 1190.35 g/mol. Its IUPAC name is 3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID155377671
Molecular FormulaC82H50F3N7
Molecular Weight1190.35 g/mol
Exact Mass1189.41
IUPAC Name3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c2)c1
InChIInChI=1S/C82H50F3N7/c83-82(84,85)81-79(91-75-28-24-58(62-32-36-87-71(45-62)53-15-5-1-6-16-53)41-67(75)68-42-59(25-29-76(68)91)63-33-37-88-72(46-63)54-17-7-2-8-18-54)49-66(57-23-13-14-52(40-57)51-86)50-80(81)92-77-30-26-60(64-34-38-89-73(47-64)55-19-9-3-10-20-55)43-69(77)70-44-61(27-31-78(70)92)65-35-39-90-74(48-65)56-21-11-4-12-22-56/h1-50H
InChIKeyUHWJLPLKPMAVRH-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-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238097
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
3-[3,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146237861
3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 160603792
3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
CID 146238055
3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 158607283
5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238063
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155378016
5-[3,5-bis(3-cyanocarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612245
3-[3,5-bis(2,7-ditert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377995
3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile
CID 155377839
3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 159521828

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile (CID 155377671) is 3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c2)c1.
What is the InChIKey of 3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is UHWJLPLKPMAVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N7/c83-82(84,85)81-79(91-75-28-24-58(62-32-36-87-71(45-62)53-15-5-1-6-16-53)41-67(75)68-42-59(25-29-76(68)91)63-33-37-88-72(46-63)54-17-7-2-8-18-54)49-66(57-23-13-14-52(40-57)51-86)50-80(81)92-77-30-26-60(64-34-38-89-73(47-64)55-19-9-3-10-20-55)43-69(77)70-44-61(27-31-78(70)92)65-35-39-90-74(48-65)56-21-11-4-12-22-56/h1-50H.
What are the key properties of 3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile?
3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(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-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 155377671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).