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

C43H17F18N3 — CID 139402103

IUPAC2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C43H17F18N3/c44-38(45,46)20-2-7-32-26(13-20)27-14-21(39(47,48)49)3-8-33(27)63(32)36-11-19(25-6-1-24(42(56,57)58)17-31(25)43(59,60)61)12-37(30(36)18-62)64-34-9-4-22(40(50,51)52)15-28(34)29-16-23(41(53,54)55)5-10-35(29)64/h1-17H
InChIKeyQIXIVOLUHSXQRC-UHFFFAOYSA-N
MW917.59 g/mol
LogP15.53
Rot. Bonds3

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

2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 139402103) has the molecular formula C43H17F18N3 and a molecular weight of 917.59 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID139402103
Molecular FormulaC43H17F18N3
Molecular Weight917.59 g/mol
Exact Mass917.11
IUPAC Name2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C43H17F18N3/c44-38(45,46)20-2-7-32-26(13-20)27-14-21(39(47,48)49)3-8-33(27)63(32)36-11-19(25-6-1-24(42(56,57)58)17-31(25)43(59,60)61)12-37(30(36)18-62)64-34-9-4-22(40(50,51)52)15-28(34)29-16-23(41(53,54)55)5-10-35(29)64/h1-17H
InChIKeyQIXIVOLUHSXQRC-UHFFFAOYSA-N
XLogP15.53
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.59
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402136
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(2-tert-butylcarbazol-9-yl)benzonitrile
CID 134473616
2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473598
2,6-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237920
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501960
4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162609134
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134473797
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386438
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162609088
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
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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile (CID 139402103) is 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is QIXIVOLUHSXQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H17F18N3/c44-38(45,46)20-2-7-32-26(13-20)27-14-21(39(47,48)49)3-8-33(27)63(32)36-11-19(25-6-1-24(42(56,57)58)17-31(25)43(59,60)61)12-37(30(36)18-62)64-34-9-4-22(40(50,51)52)15-28(34)29-16-23(41(53,54)55)5-10-35(29)64/h1-17H.
What are the key properties of 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 917.59 g/mol, XLogP of 15.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 139402103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).