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

C66H34F12N4 — CID 138749756

IUPAC4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4C(F)(F)F)cc3c3cc(-c4ccccc4C(F)(F)F)ccc32)cc1-c1cc(-n2c3ccc(-c4ccccc4C(F)(F)F)cc3c3cc(-c4ccccc4C(F)(F)F)ccc32)ccc1C#N
InChIInChI=1S/C66H34F12N4/c67-63(68,69)55-13-5-1-9-45(55)37-19-25-59-51(29-37)52-30-38(46-10-2-6-14-56(46)64(70,71)72)20-26-60(52)81(59)43-23-17-41(35-79)49(33-43)50-34-44(24-18-42(50)36-80)82-61-27-21-39(47-11-3-7-15-57(47)65(73,74)75)31-53(61)54-32-40(22-28-62(54)82)48-12-4-8-16-58(48)66(76,77)78/h1-34H
InChIKeyCNQNYZSXAPWAFI-UHFFFAOYSA-N
MW1111.00 g/mol
LogP20.03
Rot. Bonds7

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

4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile (PubChem CID 138749756) has the molecular formula C66H34F12N4 and a molecular weight of 1111.00 g/mol. Its IUPAC name is 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile
PubChem CID138749756
Molecular FormulaC66H34F12N4
Molecular Weight1111.00 g/mol
Exact Mass1110.26
IUPAC Name4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4C(F)(F)F)cc3c3cc(-c4ccccc4C(F)(F)F)ccc32)cc1-c1cc(-n2c3ccc(-c4ccccc4C(F)(F)F)cc3c3cc(-c4ccccc4C(F)(F)F)ccc32)ccc1C#N
InChIInChI=1S/C66H34F12N4/c67-63(68,69)55-13-5-1-9-45(55)37-19-25-59-51(29-37)52-30-38(46-10-2-6-14-56(46)64(70,71)72)20-26-60(52)81(59)43-23-17-41(35-79)49(33-43)50-34-44(24-18-42(50)36-80)82-61-27-21-39(47-11-3-7-15-57(47)65(73,74)75)31-53(61)54-32-40(22-28-62(54)82)48-12-4-8-16-58(48)66(76,77)78/h1-34H
InChIKeyCNQNYZSXAPWAFI-UHFFFAOYSA-N
XLogP20.03
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.00
LogP ≤ 520.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[2,7-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile;(Z)-but-2-ene;prop-1-ene
CID 145427143
4-[9-[3-[5-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138749621
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499773
2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138499579
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]-1-(trifluoromethyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499008
4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498871
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 138554541
3-[2-[2,6-bis(trifluoromethyl)phenyl]-5-[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138500039
4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(3-methylphenyl)-6-(4-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 138499563
2,6-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386832
4,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386399
2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 122414489

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile?
The IUPAC name of 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile (CID 138749756) is 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile?
The canonical SMILES for 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile is N#Cc1ccc(-n2c3ccc(-c4ccccc4C(F)(F)F)cc3c3cc(-c4ccccc4C(F)(F)F)ccc32)cc1-c1cc(-n2c3ccc(-c4ccccc4C(F)(F)F)cc3c3cc(-c4ccccc4C(F)(F)F)ccc32)ccc1C#N.
What is the InChIKey of 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile?
The InChIKey is CNQNYZSXAPWAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H34F12N4/c67-63(68,69)55-13-5-1-9-45(55)37-19-25-59-51(29-37)52-30-38(46-10-2-6-14-56(46)64(70,71)72)20-26-60(52)81(59)43-23-17-41(35-79)49(33-43)50-34-44(24-18-42(50)36-80)82-61-27-21-39(47-11-3-7-15-57(47)65(73,74)75)31-53(61)54-32-40(22-28-62(54)82)48-12-4-8-16-58(48)66(76,77)78/h1-34H.
What are the key properties of 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile?
4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile has a molecular weight of 1111.00 g/mol, XLogP of 20.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile is sourced from PubChem (CID 138749756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).