2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile

C69H31F21N4 — CID 134300208

IUPAC2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(C#N)c(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c1
InChIInChI=1S/C69H31F21N4/c70-63(71,72)40-13-20-45(54(29-40)67(82,83)84)35-10-17-49-48-16-9-34(44-7-3-4-8-53(44)66(79,80)81)23-57(48)93(58(49)24-35)61-27-39(43-6-2-1-5-38(43)32-91)28-62(52(61)33-92)94-59-25-36(46-21-14-41(64(73,74)75)30-55(46)68(85,86)87)11-18-50(59)51-19-12-37(26-60(51)94)47-22-15-42(65(76,77)78)31-56(47)69(88,89)90/h1-31H
InChIKeyRRPRWDFAWQYFNT-UHFFFAOYSA-N
MW1314.99 g/mol
LogP23.09
Rot. Bonds7

About 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile

2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile (PubChem CID 134300208) has the molecular formula C69H31F21N4 and a molecular weight of 1314.99 g/mol. Its IUPAC name is 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
PubChem CID134300208
Molecular FormulaC69H31F21N4
Molecular Weight1314.99 g/mol
Exact Mass1314.22
IUPAC Name2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(C#N)c(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c1
InChIInChI=1S/C69H31F21N4/c70-63(71,72)40-13-20-45(54(29-40)67(82,83)84)35-10-17-49-48-16-9-34(44-7-3-4-8-53(44)66(79,80)81)23-57(48)93(58(49)24-35)61-27-39(43-6-2-1-5-38(43)32-91)28-62(52(61)33-92)94-59-25-36(46-21-14-41(64(73,74)75)30-55(46)68(85,86)87)11-18-50(59)51-19-12-37(26-60(51)94)47-22-15-42(65(76,77)78)31-56(47)69(88,89)90/h1-31H
InChIKeyRRPRWDFAWQYFNT-UHFFFAOYSA-N
XLogP23.09
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.99
LogP ≤ 523.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile with MolForge

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Related Compounds

4-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473325
2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146519971
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
5-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473326
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419887
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
CID 134300219
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(2-tert-butylcarbazol-9-yl)benzonitrile
CID 134473616
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 162609135
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142466030
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 158283919
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 162571618
2,6-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 147670061

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile?
The IUPAC name of 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile (CID 134300208) is 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile.
What is the SMILES notation for 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile?
The canonical SMILES for 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile is N#Cc1ccccc1-c1cc(-n2c3cc(-c4ccccc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(C#N)c(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c1.
What is the InChIKey of 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile?
The InChIKey is RRPRWDFAWQYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H31F21N4/c70-63(71,72)40-13-20-45(54(29-40)67(82,83)84)35-10-17-49-48-16-9-34(44-7-3-4-8-53(44)66(79,80)81)23-57(48)93(58(49)24-35)61-27-39(43-6-2-1-5-38(43)32-91)28-62(52(61)33-92)94-59-25-36(46-21-14-41(64(73,74)75)30-55(46)68(85,86)87)11-18-50(59)51-19-12-37(26-60(51)94)47-22-15-42(65(76,77)78)31-56(47)69(88,89)90/h1-31H.
What are the key properties of 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile?
2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile has a molecular weight of 1314.99 g/mol, XLogP of 23.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile is sourced from PubChem (CID 134300208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).