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

C78H32F33N3 — CID 138499008

IUPAC4-[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
SMILESN#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1-c1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)ccc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(C(F)(F)F)c21
InChIInChI=1S/C78H32F33N3/c79-68(80,81)40-9-14-45(57(28-40)74(97,98)99)34-5-18-62-51(22-34)52-23-35(46-15-10-41(69(82,83)84)29-58(46)75(100,101)102)6-19-63(52)113(62)44-13-4-38(33-112)49(32-44)50-25-37(66-55(72(91,92)93)2-1-3-56(66)73(94,95)96)8-21-64(50)114-65-20-7-36(47-16-11-42(70(85,86)87)30-59(47)76(103,104)105)24-53(65)54-26-39(27-61(67(54)114)78(109,110)111)48-17-12-43(71(88,89)90)31-60(48)77(106,107)108/h1-32H
InChIKeyOJZGETKONILUCG-UHFFFAOYSA-N
MW1638.07 g/mol
LogP28.96
Rot. Bonds8

About 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

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 (PubChem CID 138499008) has the molecular formula C78H32F33N3 and a molecular weight of 1638.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID138499008
Molecular FormulaC78H32F33N3
Molecular Weight1638.07 g/mol
Exact Mass1637.21
IUPAC Name4-[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
SMILESN#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1-c1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)ccc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(C(F)(F)F)c21
InChIInChI=1S/C78H32F33N3/c79-68(80,81)40-9-14-45(57(28-40)74(97,98)99)34-5-18-62-51(22-34)52-23-35(46-15-10-41(69(82,83)84)29-58(46)75(100,101)102)6-19-63(52)113(62)44-13-4-38(33-112)49(32-44)50-25-37(66-55(72(91,92)93)2-1-3-56(66)73(94,95)96)8-21-64(50)114-65-20-7-36(47-16-11-42(70(85,86)87)30-59(47)76(103,104)105)24-53(65)54-26-39(27-61(67(54)114)78(109,110)111)48-17-12-43(71(88,89)90)31-60(48)77(106,107)108/h1-32H
InChIKeyOJZGETKONILUCG-UHFFFAOYSA-N
XLogP28.96
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001638.07
LogP ≤ 528.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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-[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(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
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
3-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 148740453
4-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 138499814
3-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499837
3,5-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392584
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499401
4-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 138499505
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499639

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1-c1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)ccc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(C(F)(F)F)c21.
What is the InChIKey of 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?
The InChIKey is OJZGETKONILUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H32F33N3/c79-68(80,81)40-9-14-45(57(28-40)74(97,98)99)34-5-18-62-51(22-34)52-23-35(46-15-10-41(69(82,83)84)29-58(46)75(100,101)102)6-19-63(52)113(62)44-13-4-38(33-112)49(32-44)50-25-37(66-55(72(91,92)93)2-1-3-56(66)73(94,95)96)8-21-64(50)114-65-20-7-36(47-16-11-42(70(85,86)87)30-59(47)76(103,104)105)24-53(65)54-26-39(27-61(67(54)114)78(109,110)111)48-17-12-43(71(88,89)90)31-60(48)77(106,107)108/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 1638.07 g/mol, XLogP of 28.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138499008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).