4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile

C92H66F14N8O2 — CID 159794337

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.N#Cc1ccc(-n2c3ccc(F)cc3c3cc(F)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N2.C22H15F3N2O2.C22H15F3N2.C20H9F5N2/c1-26(2,3)18-8-11-23-20(14-18)21-15-19(27(4,5)6)9-12-24(21)33(23)25-10-7-17(16-32)13-22(25)28(29,30)31;1-28-14-4-7-19-16(10-14)17-11-15(29-2)5-8-20(17)27(19)21-6-3-13(12-26)9-18(21)22(23,24)25;1-13-3-6-19-16(9-13)17-10-14(2)4-7-20(17)27(19)21-8-5-15(12-26)11-18(21)22(23,24)25;21-12-2-5-17-14(8-12)15-9-13(22)3-6-18(15)27(17)19-4-1-11(10-26)7-16(19)20(23,24)25/h7-15H,1-6H3;3-11H,1-2H3;3-11H,1-2H3;1-9H
InChIKeyNIZABVYZXZSAJE-UHFFFAOYSA-N
MW1581.57 g/mol
LogP26.20
Rot. Bonds6

About 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile

4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile (PubChem CID 159794337) has the molecular formula C92H66F14N8O2 and a molecular weight of 1581.57 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile
PubChem CID159794337
Molecular FormulaC92H66F14N8O2
Molecular Weight1581.57 g/mol
Exact Mass1580.51
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.N#Cc1ccc(-n2c3ccc(F)cc3c3cc(F)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N2.C22H15F3N2O2.C22H15F3N2.C20H9F5N2/c1-26(2,3)18-8-11-23-20(14-18)21-15-19(27(4,5)6)9-12-24(21)33(23)25-10-7-17(16-32)13-22(25)28(29,30)31;1-28-14-4-7-19-16(10-14)17-11-15(29-2)5-8-20(17)27(19)21-6-3-13(12-26)9-18(21)22(23,24)25;1-13-3-6-19-16(9-13)17-10-14(2)4-7-20(17)27(19)21-8-5-15(12-26)11-18(21)22(23,24)25;21-12-2-5-17-14(8-12)15-9-13(22)3-6-18(15)27(17)19-4-1-11(10-26)7-16(19)20(23,24)25/h7-15H,1-6H3;3-11H,1-2H3;3-11H,1-2H3;1-9H
InChIKeyNIZABVYZXZSAJE-UHFFFAOYSA-N
XLogP26.20
TPSA133.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001581.57
LogP ≤ 526.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile with MolForge

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Related Compounds

3-[3,3,4,4,5,5-Hexafluoro-2-(5-methoxy-1,2-dimethylindol-3-yl)cyclopenten-1-yl]-5-methoxy-1,2-dimethylindole
CID 102531509
(Z)-2-(3,5-difluorophenyl)-3-[9-(4-methoxyphenyl)carbazol-3-yl]prop-2-enenitrile
CID 18627191
(Z)-3-[9-(4-methoxyphenyl)carbazol-3-yl]-2-(2,3,4-trifluorophenyl)prop-2-enenitrile
CID 18627193
(Z)-2-[3,5-bis(trifluoromethyl)phenyl]-3-[9-(4-methoxyphenyl)carbazol-3-yl]prop-2-enenitrile
CID 18627194
3-[9-(4-Methoxyphenyl)carbazol-3-yl]-2-(2,3,4-trifluorophenyl)prop-2-enenitrile
CID 69987903
(Z)-2-(3,5-difluorophenyl)-3-[9-(4-methoxyphenyl)carbazol-3-yl]but-2-enedinitrile
CID 69988138
N-(4-methoxyphenyl)-3-(1,2-dicyano-2-(3,5-difluorophenyl)ethenyl)carbazole
CID 69988140
N-(4-methoxyphenyl)-3-(2-cyano-2-(3,5-difluorophenyl)ethenyl) carbazole
CID 69989017
N-(4-methoxyphenyl)-3-(1,2-dicyano-2-(3,5-bis(trifluoromethyl)phenyl)ethenyl)carbazole
CID 73454077
N-(4-methoxyphenyl)-3-(2-cyano-2-(3,5-bis(trifluoromethyl) phenyl)ethenyl)carbazole
CID 73454080
(Z)-2-[3,5-bis(trifluoromethyl)phenyl]-3-[9-(4-methoxyphenyl)carbazol-3-yl]but-2-enedinitrile
CID 88091056
N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine
CID 90164118

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile (CID 159794337) is 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1C(F)(F)F.N#Cc1ccc(-n2c3ccc(F)cc3c3cc(F)ccc32)c(C(F)(F)F)c1.
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile?
The InChIKey is NIZABVYZXZSAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2.C22H15F3N2O2.C22H15F3N2.C20H9F5N2/c1-26(2,3)18-8-11-23-20(14-18)21-15-19(27(4,5)6)9-12-24(21)33(23)25-10-7-17(16-32)13-22(25)28(29,30)31;1-28-14-4-7-19-16(10-14)17-11-15(29-2)5-8-20(17)27(19)21-6-3-13(12-26)9-18(21)22(23,24)25;1-13-3-6-19-16(9-13)17-10-14(2)4-7-20(17)27(19)21-8-5-15(12-26)11-18(21)22(23,24)25;21-12-2-5-17-14(8-12)15-9-13(22)3-6-18(15)27(17)19-4-1-11(10-26)7-16(19)20(23,24)25/h7-15H,1-6H3;3-11H,1-2H3;3-11H,1-2H3;1-9H.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile?
4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile has a molecular weight of 1581.57 g/mol, XLogP of 26.20, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-ditert-butylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-difluorocarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethoxycarbazol-9-yl)-3-(trifluoromethyl)benzonitrile;4-(3,6-dimethylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 159794337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).