4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile

C61H35F6N5 — CID 142508821

IUPAC4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)c(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C61H35F6N5/c62-60(63,64)46-20-11-21-47(61(65,66)67)58(46)59-56(71-52-26-9-7-18-42(52)44-34-40(28-30-54(44)71)50-24-12-22-48(69-50)38-14-3-1-4-15-38)32-37(36-68)33-57(59)72-53-27-10-8-19-43(53)45-35-41(29-31-55(45)72)51-25-13-23-49(70-51)39-16-5-2-6-17-39/h1-35H
InChIKeyYSDPLSVVTYNOLW-UHFFFAOYSA-N
MW951.97 g/mol
LogP16.92
Rot. Bonds7

About 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile

4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 142508821) has the molecular formula C61H35F6N5 and a molecular weight of 951.97 g/mol. Its IUPAC name is 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
PubChem CID142508821
Molecular FormulaC61H35F6N5
Molecular Weight951.97 g/mol
Exact Mass951.28
IUPAC Name4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)c(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C61H35F6N5/c62-60(63,64)46-20-11-21-47(61(65,66)67)58(46)59-56(71-52-26-9-7-18-42(52)44-34-40(28-30-54(44)71)50-24-12-22-48(69-50)38-14-3-1-4-15-38)32-37(36-68)33-57(59)72-53-27-10-8-19-43(53)45-35-41(29-31-55(45)72)51-25-13-23-49(70-51)39-16-5-2-6-17-39/h1-35H
InChIKeyYSDPLSVVTYNOLW-UHFFFAOYSA-N
XLogP16.92
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.97
LogP ≤ 516.92
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
2,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392595
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 137392780
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386762
9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 155216680
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
3,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382189
5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155216668
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 146519834
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile
CID 155377839

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (CID 142508821) is 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)c(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1.
What is the InChIKey of 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The InChIKey is YSDPLSVVTYNOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35F6N5/c62-60(63,64)46-20-11-21-47(61(65,66)67)58(46)59-56(71-52-26-9-7-18-42(52)44-34-40(28-30-54(44)71)50-24-12-22-48(69-50)38-14-3-1-4-15-38)32-37(36-68)33-57(59)72-53-27-10-8-19-43(53)45-35-41(29-31-55(45)72)51-25-13-23-49(70-51)39-16-5-2-6-17-39/h1-35H.
What are the key properties of 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 951.97 g/mol, XLogP of 16.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 142508821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).