4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile

C38H22F3N3 — CID 139526319

IUPAC4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H22F3N3/c39-38(40,41)25-18-19-30(37(22-25)44-34-15-7-3-11-28(34)29-12-4-8-16-35(29)44)31-21-24(23-42)17-20-36(31)43-32-13-5-1-9-26(32)27-10-2-6-14-33(27)43/h1-22H
InChIKeyLLKGOUIJYBUYHX-UHFFFAOYSA-N
MW577.61 g/mol
LogP10.44
Rot. Bonds3

About 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile

4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 139526319) has the molecular formula C38H22F3N3 and a molecular weight of 577.61 g/mol. Its IUPAC name is 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID139526319
Molecular FormulaC38H22F3N3
Molecular Weight577.61 g/mol
Exact Mass577.18
IUPAC Name4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H22F3N3/c39-38(40,41)25-18-19-30(37(22-25)44-34-15-7-3-11-28(34)29-12-4-8-16-35(29)44)31-21-24(23-42)17-20-36(31)43-32-13-5-1-9-26(32)27-10-2-6-14-33(27)43/h1-22H
InChIKeyLLKGOUIJYBUYHX-UHFFFAOYSA-N
XLogP10.44
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.61
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 139526344
3-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138499904
4-[3-(2-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 164743997
3-[4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-tert-butylcarbazol-9-yl)phenyl]-4-(3-tert-butylcarbazol-9-yl)benzonitrile
CID 138499668
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 139526210
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 158234834
4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-3-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498833
3-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-4-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 138499454
4-[4-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 147357350
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499518
4-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 138499814
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003391

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile (CID 139526319) is 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is LLKGOUIJYBUYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F3N3/c39-38(40,41)25-18-19-30(37(22-25)44-34-15-7-3-11-28(34)29-12-4-8-16-35(29)44)31-21-24(23-42)17-20-36(31)43-32-13-5-1-9-26(32)27-10-2-6-14-33(27)43/h1-22H.
What are the key properties of 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile?
4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 577.61 g/mol, XLogP of 10.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 139526319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).