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

C61H35F6N5 — CID 137392575

IUPAC4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ccc(-c4ccccc4)nc3)cc21
InChIInChI=1S/C61H35F6N5/c62-60(63,64)49-18-11-19-50(61(65,66)67)59(49)48-33-55(71-53-20-9-7-16-44(53)46-26-22-39(30-56(46)71)41-24-28-51(69-35-41)37-12-3-1-4-13-37)43(34-68)32-58(48)72-54-21-10-8-17-45(54)47-27-23-40(31-57(47)72)42-25-29-52(70-36-42)38-14-5-2-6-15-38/h1-33,35-36H
InChIKeyYJUCFYYUKMXVEM-UHFFFAOYSA-N
MW951.97 g/mol
LogP16.92
Rot. Bonds7

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

4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 137392575) has the molecular formula C61H35F6N5 and a molecular weight of 951.97 g/mol. Its IUPAC name is 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
PubChem CID137392575
Molecular FormulaC61H35F6N5
Molecular Weight951.97 g/mol
Exact Mass951.28
IUPAC Name4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ccc(-c4ccccc4)nc3)cc21
InChIInChI=1S/C61H35F6N5/c62-60(63,64)49-18-11-19-50(61(65,66)67)59(49)48-33-55(71-53-20-9-7-16-44(53)46-26-22-39(30-56(46)71)41-24-28-51(69-35-41)37-12-3-1-4-13-37)43(34-68)32-58(48)72-54-21-10-8-17-45(54)47-27-23-40(31-57(47)72)42-25-29-52(70-36-42)38-14-5-2-6-15-38/h1-33,35-36H
InChIKeyYJUCFYYUKMXVEM-UHFFFAOYSA-N
XLogP16.92
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.97
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methyl-6-(trifluoromethyl)phenyl]-2,6-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 162110068
3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381531
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]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142502050
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146520059
2-[2,6-bis(trifluoromethyl)phenyl]-4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 137393375
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
2,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427516
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377806

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile (CID 137392575) is 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ccc(-c4ccccc4)nc3)cc21.
What is the InChIKey of 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile?
The InChIKey is YJUCFYYUKMXVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35F6N5/c62-60(63,64)49-18-11-19-50(61(65,66)67)59(49)48-33-55(71-53-20-9-7-16-44(53)46-26-22-39(30-56(46)71)41-24-28-51(69-35-41)37-12-3-1-4-13-37)43(34-68)32-58(48)72-54-21-10-8-17-45(54)47-27-23-40(31-57(47)72)42-25-29-52(70-36-42)38-14-5-2-6-15-38/h1-33,35-36H.
What are the key properties of 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile?
4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 951.97 g/mol, XLogP of 16.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 137392575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).