2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C38H20F6N4 — CID 146546497

IUPAC2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C38H20F6N4/c39-37(40,41)23-13-15-33-28(17-23)26-9-3-5-11-31(26)47(33)35-21-46-36(19-30(35)25-8-2-1-7-22(25)20-45)48-32-12-6-4-10-27(32)29-18-24(38(42,43)44)14-16-34(29)48/h1-19,21H
InChIKeyGUWKARDKUSYEOD-UHFFFAOYSA-N
MW646.59 g/mol
LogP10.85
Rot. Bonds3

About 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146546497) has the molecular formula C38H20F6N4 and a molecular weight of 646.59 g/mol. Its IUPAC name is 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146546497
Molecular FormulaC38H20F6N4
Molecular Weight646.59 g/mol
Exact Mass646.16
IUPAC Name2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C38H20F6N4/c39-37(40,41)23-13-15-33-28(17-23)26-9-3-5-11-31(26)47(33)35-21-46-36(19-30(35)25-8-2-1-7-22(25)20-45)48-32-12-6-4-10-27(32)29-18-24(38(42,43)44)14-16-34(29)48/h1-19,21H
InChIKeyGUWKARDKUSYEOD-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-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452400
2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544203
2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546475
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 159452208
2-[9-[5-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-(2-cyanophenyl)-2-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452327
2-[3,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153248796
2-[3,5-bis[2-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 162609734
2-[2,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153043769
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759243
2-[3-(2-cyanophenyl)-5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 155446470
3-[2,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
CID 146394115
2-[3-(2-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 153260817

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146546497) is 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is GUWKARDKUSYEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F6N4/c39-37(40,41)23-13-15-33-28(17-23)26-9-3-5-11-31(26)47(33)35-21-46-36(19-30(35)25-8-2-1-7-22(25)20-45)48-32-12-6-4-10-27(32)29-18-24(38(42,43)44)14-16-34(29)48/h1-19,21H.
What are the key properties of 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]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 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146546497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).