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

C44H24F5N3 — CID 164744011

IUPAC4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c(-c2c(F)cccc2F)c1
InChIInChI=1S/C44H24F5N3/c45-36-11-7-12-37(46)43(36)35-20-26(25-50)16-18-42(35)52-40-15-6-3-10-33(40)34-23-27(17-19-41(34)52)28-21-29(44(47,48)49)24-30(22-28)51-38-13-4-1-8-31(38)32-9-2-5-14-39(32)51/h1-24H
InChIKeyGARDZPXKJJJOPK-UHFFFAOYSA-N
MW689.69 g/mol
LogP12.38
Rot. Bonds4

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

4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile (PubChem CID 164744011) has the molecular formula C44H24F5N3 and a molecular weight of 689.69 g/mol. Its IUPAC name is 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile.

Molecular Properties

Compound Name4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
PubChem CID164744011
Molecular FormulaC44H24F5N3
Molecular Weight689.69 g/mol
Exact Mass689.19
IUPAC Name4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c(-c2c(F)cccc2F)c1
InChIInChI=1S/C44H24F5N3/c45-36-11-7-12-37(46)43(36)35-20-26(25-50)16-18-42(35)52-40-15-6-3-10-33(40)34-23-27(17-19-41(34)52)28-21-29(44(47,48)49)24-30(22-28)51-38-13-4-1-8-31(38)32-9-2-5-14-39(32)51/h1-24H
InChIKeyGARDZPXKJJJOPK-UHFFFAOYSA-N
XLogP12.38
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.69
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035242
5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744006
4-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164743981
4-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164744005
3-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499490
3-[2-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138500010
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 138498906
3-[4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-tert-butylcarbazol-9-yl)phenyl]-4-(3-tert-butylcarbazol-9-yl)benzonitrile
CID 138499668
5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499701
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164744045
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409764
3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159152153

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile?
The IUPAC name of 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile (CID 164744011) is 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile.
What is the SMILES notation for 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile?
The canonical SMILES for 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c(-c2c(F)cccc2F)c1.
What is the InChIKey of 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile?
The InChIKey is GARDZPXKJJJOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F5N3/c45-36-11-7-12-37(46)43(36)35-20-26(25-50)16-18-42(35)52-40-15-6-3-10-33(40)34-23-27(17-19-41(34)52)28-21-29(44(47,48)49)24-30(22-28)51-38-13-4-1-8-31(38)32-9-2-5-14-39(32)51/h1-24H.
What are the key properties of 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile?
4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile has a molecular weight of 689.69 g/mol, XLogP of 12.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile is sourced from PubChem (CID 164744011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).