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

C52H26F12N4 — CID 146409764

IUPAC4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2ccncc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1
InChIInChI=1S/C52H26F12N4/c53-49(54,55)33-18-31(19-34(24-33)50(56,57)58)29-10-13-46-41(22-29)37-5-1-3-7-43(37)67(46)45-12-9-28(26-65)17-40(45)39-15-16-66-27-48(39)68-44-8-4-2-6-38(44)42-23-30(11-14-47(42)68)32-20-35(51(59,60)61)25-36(21-32)52(62,63)64/h1-25,27H
InChIKeyULYZMOSRQMTHRF-UHFFFAOYSA-N
MW934.78 g/mol
LogP16.22
Rot. Bonds5

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

4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146409764) has the molecular formula C52H26F12N4 and a molecular weight of 934.78 g/mol. Its IUPAC name is 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146409764
Molecular FormulaC52H26F12N4
Molecular Weight934.78 g/mol
Exact Mass934.20
IUPAC Name4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2ccncc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1
InChIInChI=1S/C52H26F12N4/c53-49(54,55)33-18-31(19-34(24-33)50(56,57)58)29-10-13-46-41(22-29)37-5-1-3-7-43(37)67(46)45-12-9-28(26-65)17-40(45)39-15-16-66-27-48(39)68-44-8-4-2-6-38(44)42-23-30(11-14-47(42)68)32-20-35(51(59,60)61)25-36(21-32)52(62,63)64/h1-25,27H
InChIKeyULYZMOSRQMTHRF-UHFFFAOYSA-N
XLogP16.22
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.78
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159152153
4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409327
3-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499490
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-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499701
3-[4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-tert-butylcarbazol-9-yl)phenyl]-4-(3-tert-butylcarbazol-9-yl)benzonitrile
CID 138499668
5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409316
5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744006
3-[9-[3-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
CID 162614131
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 138498906
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499308

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146409764) is 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2ccncc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1.
What is the InChIKey of 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is ULYZMOSRQMTHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26F12N4/c53-49(54,55)33-18-31(19-34(24-33)50(56,57)58)29-10-13-46-41(22-29)37-5-1-3-7-43(37)67(46)45-12-9-28(26-65)17-40(45)39-15-16-66-27-48(39)68-44-8-4-2-6-38(44)42-23-30(11-14-47(42)68)32-20-35(51(59,60)61)25-36(21-32)52(62,63)64/h1-25,27H.
What are the key properties of 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 934.78 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146409764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).