4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile

C44H24F6N4 — CID 146845706

IUPAC4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C44H24F6N4/c45-43(46,47)28-17-19-32-30-11-4-6-15-37(30)53(41(32)22-28)39-24-34(36-14-8-13-35(52-36)26-9-2-1-3-10-26)40(21-27(39)25-51)54-38-16-7-5-12-31(38)33-20-18-29(23-42(33)54)44(48,49)50/h1-24H
InChIKeySHAGYNLUYODBEB-UHFFFAOYSA-N
MW722.69 g/mol
LogP12.52
Rot. Bonds4

About 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile

4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 146845706) has the molecular formula C44H24F6N4 and a molecular weight of 722.69 g/mol. Its IUPAC name is 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
PubChem CID146845706
Molecular FormulaC44H24F6N4
Molecular Weight722.69 g/mol
Exact Mass722.19
IUPAC Name4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C44H24F6N4/c45-43(46,47)28-17-19-32-30-11-4-6-15-37(30)53(41(32)22-28)39-24-34(36-14-8-13-35(52-36)26-9-2-1-3-10-26)40(21-27(39)25-51)54-38-16-7-5-12-31(38)33-20-18-29(23-42(33)54)44(48,49)50/h1-24H
InChIKeySHAGYNLUYODBEB-UHFFFAOYSA-N
XLogP12.52
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.69
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147090698
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147088605
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386762
2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216461
9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 155216680
2,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729233
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
2,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392860

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 146845706) is 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The InChIKey is SHAGYNLUYODBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F6N4/c45-43(46,47)28-17-19-32-30-11-4-6-15-37(30)53(41(32)22-28)39-24-34(36-14-8-13-35(52-36)26-9-2-1-3-10-26)40(21-27(39)25-51)54-38-16-7-5-12-31(38)33-20-18-29(23-42(33)54)44(48,49)50/h1-24H.
What are the key properties of 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 722.69 g/mol, XLogP of 12.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 146845706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).