4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile

C38H20F6N4 — CID 134292666

IUPAC4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-c2ccncc2)cc1-n1c2ccccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C38H20F6N4/c39-37(40,41)24-9-11-28-26-5-1-3-7-31(26)47(35(28)18-24)33-20-30(22-13-15-46-16-14-22)34(17-23(33)21-45)48-32-8-4-2-6-27(32)29-12-10-25(19-36(29)48)38(42,43)44/h1-20H
InChIKeyVUIIZYHVTWWVCZ-UHFFFAOYSA-N
MW646.59 g/mol
LogP10.85
Rot. Bonds3

About 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile

4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 134292666) has the molecular formula C38H20F6N4 and a molecular weight of 646.59 g/mol. Its IUPAC name is 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
PubChem CID134292666
Molecular FormulaC38H20F6N4
Molecular Weight646.59 g/mol
Exact Mass646.16
IUPAC Name4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-c2ccncc2)cc1-n1c2ccccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C38H20F6N4/c39-37(40,41)24-9-11-28-26-5-1-3-7-31(26)47(35(28)18-24)33-20-30(22-13-15-46-16-14-22)34(17-23(33)21-45)48-32-8-4-2-6-27(32)29-12-10-25(19-36(29)48)38(42,43)44/h1-20H
InChIKeyVUIIZYHVTWWVCZ-UHFFFAOYSA-N
XLogP10.85
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.59
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301885
2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292536
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
2,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292650
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 134300622
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566139
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302160
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
2,5-bis(2-methylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295588
2,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392860

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 134292666) is 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-c2ccncc2)cc1-n1c2ccccc2c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The InChIKey is VUIIZYHVTWWVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F6N4/c39-37(40,41)24-9-11-28-26-5-1-3-7-31(26)47(35(28)18-24)33-20-30(22-13-15-46-16-14-22)34(17-23(33)21-45)48-32-8-4-2-6-27(32)29-12-10-25(19-36(29)48)38(42,43)44/h1-20H.
What are the key properties of 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 646.59 g/mol, XLogP of 10.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 134292666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).