4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

C68H30F24N4 — CID 134302160

IUPAC4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)cc1-c1ccncc1
InChIInChI=1S/C68H30F24N4/c69-61(70,71)38-5-13-42(51(26-38)65(81,82)83)33-1-9-46-47-10-2-34(43-14-6-39(62(72,73)74)27-52(43)66(84,85)86)22-56(47)95(55(46)21-33)59-25-37(31-93)50(32-17-19-94-20-18-32)30-60(59)96-57-23-35(44-15-7-40(63(75,76)77)28-53(44)67(87,88)89)3-11-48(57)49-12-4-36(24-58(49)96)45-16-8-41(64(78,79)80)29-54(45)68(90,91)92/h1-30H
InChIKeyQBAWBVJMYXQGLQ-UHFFFAOYSA-N
MW1358.97 g/mol
LogP23.63
Rot. Bonds7

About 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (PubChem CID 134302160) has the molecular formula C68H30F24N4 and a molecular weight of 1358.97 g/mol. Its IUPAC name is 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
PubChem CID134302160
Molecular FormulaC68H30F24N4
Molecular Weight1358.97 g/mol
Exact Mass1358.21
IUPAC Name4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)cc1-c1ccncc1
InChIInChI=1S/C68H30F24N4/c69-61(70,71)38-5-13-42(51(26-38)65(81,82)83)33-1-9-46-47-10-2-34(43-14-6-39(62(72,73)74)27-52(43)66(84,85)86)22-56(47)95(55(46)21-33)59-25-37(31-93)50(32-17-19-94-20-18-32)30-60(59)96-57-23-35(44-15-7-40(63(75,76)77)28-53(44)67(87,88)89)3-11-48(57)49-12-4-36(24-58(49)96)45-16-8-41(64(78,79)80)29-54(45)68(90,91)92/h1-30H
InChIKeyQBAWBVJMYXQGLQ-UHFFFAOYSA-N
XLogP23.63
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001358.97
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292984
3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302206
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 162571618
4,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321386
5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473751
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
5-[2-[2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-7-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
CID 138565979
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157
4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
4,5-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419834

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (CID 134302160) is 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is N#Cc1cc(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)cc1-c1ccncc1.
What is the InChIKey of 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The InChIKey is QBAWBVJMYXQGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H30F24N4/c69-61(70,71)38-5-13-42(51(26-38)65(81,82)83)33-1-9-46-47-10-2-34(43-14-6-39(62(72,73)74)27-52(43)66(84,85)86)22-56(47)95(55(46)21-33)59-25-37(31-93)50(32-17-19-94-20-18-32)30-60(59)96-57-23-35(44-15-7-40(63(75,76)77)28-53(44)67(87,88)89)3-11-48(57)49-12-4-36(24-58(49)96)45-16-8-41(64(78,79)80)29-54(45)68(90,91)92/h1-30H.
What are the key properties of 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile has a molecular weight of 1358.97 g/mol, XLogP of 23.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134302160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).