9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile

C44H24F3N5 — CID 155216680

IUPAC9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(C#N)ccc32)cc1-c1cccc(-c2ccccc2)n1
InChIInChI=1S/C44H24F3N5/c45-44(46,47)35-24-42(51-38-15-6-4-11-30(38)32-21-27(25-48)17-19-40(32)51)34(37-14-8-13-36(50-37)29-9-2-1-3-10-29)23-43(35)52-39-16-7-5-12-31(39)33-22-28(26-49)18-20-41(33)52/h1-24H
InChIKeyFACKRPGGBMINEZ-UHFFFAOYSA-N
MW679.71 g/mol
LogP11.37
Rot. Bonds4

About 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile

9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile (PubChem CID 155216680) has the molecular formula C44H24F3N5 and a molecular weight of 679.71 g/mol. Its IUPAC name is 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
PubChem CID155216680
Molecular FormulaC44H24F3N5
Molecular Weight679.71 g/mol
Exact Mass679.20
IUPAC Name9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(C#N)ccc32)cc1-c1cccc(-c2ccccc2)n1
InChIInChI=1S/C44H24F3N5/c45-44(46,47)35-24-42(51-38-15-6-4-11-30(38)32-21-27(25-48)17-19-40(32)51)34(37-14-8-13-36(50-37)29-9-2-1-3-10-29)23-43(35)52-39-16-7-5-12-31(39)33-22-28(26-49)18-20-41(33)52/h1-24H
InChIKeyFACKRPGGBMINEZ-UHFFFAOYSA-N
XLogP11.37
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.71
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377796
3-[2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 142465777
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 142508821
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
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386762
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377959
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-[2-[2-(3-cyanocarbazol-9-yl)-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 147568777
3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146237978

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile (CID 155216680) is 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(C#N)ccc32)cc1-c1cccc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is FACKRPGGBMINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F3N5/c45-44(46,47)35-24-42(51-38-15-6-4-11-30(38)32-21-27(25-48)17-19-40(32)51)34(37-14-8-13-36(50-37)29-9-2-1-3-10-29)23-43(35)52-39-16-7-5-12-31(39)33-22-28(26-49)18-20-41(33)52/h1-24H.
What are the key properties of 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile?
9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 679.71 g/mol, XLogP of 11.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155216680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).