3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile

C25H14F3N3 — CID 138566387

IUPAC3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-c2ccncc2)cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C25H14F3N3/c26-25(27,28)19-5-6-24-22(14-19)21-3-1-2-4-23(21)31(24)20-12-16(15-29)11-18(13-20)17-7-9-30-10-8-17/h1-14H
InChIKeyQXFSPOHYODJDEI-UHFFFAOYSA-N
MW413.40 g/mol
LogP6.74
Rot. Bonds2

About 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile

3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 138566387) has the molecular formula C25H14F3N3 and a molecular weight of 413.40 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
PubChem CID138566387
Molecular FormulaC25H14F3N3
Molecular Weight413.40 g/mol
Exact Mass413.11
IUPAC Name3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-c2ccncc2)cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C25H14F3N3/c26-25(27,28)19-5-6-24-22(14-19)21-3-1-2-4-23(21)31(24)20-12-16(15-29)11-18(13-20)17-7-9-30-10-8-17/h1-14H
InChIKeyQXFSPOHYODJDEI-UHFFFAOYSA-N
XLogP6.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138565840
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
CID 138565472
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137386596
3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138566121
3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296253
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 138566416
5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744006
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035242
5-[3,5-di(carbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 139538793

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 138566387) is 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is N#Cc1cc(-c2ccncc2)cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The InChIKey is QXFSPOHYODJDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F3N3/c26-25(27,28)19-5-6-24-22(14-19)21-3-1-2-4-23(21)31(24)20-12-16(15-29)11-18(13-20)17-7-9-30-10-8-17/h1-14H.
What are the key properties of 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 413.40 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 138566387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).