4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile

C25H12F4N2 — CID 139507239

IUPAC4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile
SMILESN#Cc1c(F)c(F)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(F)c1F
InChIInChI=1S/C25H12F4N2/c26-22-17(13-30)23(27)25(29)21(24(22)28)16-9-3-6-12-20(16)31-18-10-4-1-7-14(18)15-8-2-5-11-19(15)31/h1-12H
InChIKeyPCVCNPPRYPLZAD-UHFFFAOYSA-N
MW416.38 g/mol
LogP6.88
Rot. Bonds2

About 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile

4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile (PubChem CID 139507239) has the molecular formula C25H12F4N2 and a molecular weight of 416.38 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile
PubChem CID139507239
Molecular FormulaC25H12F4N2
Molecular Weight416.38 g/mol
Exact Mass416.09
IUPAC Name4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile
SMILESN#Cc1c(F)c(F)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(F)c1F
InChIInChI=1S/C25H12F4N2/c26-22-17(13-30)23(27)25(29)21(24(22)28)16-9-3-6-12-20(16)31-18-10-4-1-7-14(18)15-8-2-5-11-19(15)31/h1-12H
InChIKeyPCVCNPPRYPLZAD-UHFFFAOYSA-N
XLogP6.88
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.38
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 129313217
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile
CID 140701568
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
4-(2-carbazol-9-ylphenyl)-2-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079721
4,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 152939777
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 153027335
5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile
CID 155080659

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile (CID 139507239) is 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile is N#Cc1c(F)c(F)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(F)c1F.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile?
The InChIKey is PCVCNPPRYPLZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12F4N2/c26-22-17(13-30)23(27)25(29)21(24(22)28)16-9-3-6-12-20(16)31-18-10-4-1-7-14(18)15-8-2-5-11-19(15)31/h1-12H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile?
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile has a molecular weight of 416.38 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile is sourced from PubChem (CID 139507239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).