2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile

C66H34F3N7 — CID 159473488

IUPAC2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)c3c2)c1
InChIInChI=1S/C66H34F3N7/c67-66(68,69)54-15-5-14-48(28-54)53-33-64(75-60-29-49(44-10-1-6-40(24-44)35-70)16-20-55(60)56-21-17-50(30-61(56)75)45-11-2-7-41(25-45)36-71)59(39-74)65(34-53)76-62-31-51(46-12-3-8-42(26-46)37-72)18-22-57(62)58-23-19-52(32-63(58)76)47-13-4-9-43(27-47)38-73/h1-34H
InChIKeyLWBXFEBGNOUJEJ-UHFFFAOYSA-N
MW982.04 g/mol
LogP16.59
Rot. Bonds7

About 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile

2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 159473488) has the molecular formula C66H34F3N7 and a molecular weight of 982.04 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
PubChem CID159473488
Molecular FormulaC66H34F3N7
Molecular Weight982.04 g/mol
Exact Mass981.28
IUPAC Name2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)c3c2)c1
InChIInChI=1S/C66H34F3N7/c67-66(68,69)54-15-5-14-48(28-54)53-33-64(75-60-29-49(44-10-1-6-40(24-44)35-70)16-20-55(60)56-21-17-50(30-61(56)75)45-11-2-7-41(25-45)36-71)59(39-74)65(34-53)76-62-31-51(46-12-3-8-42(26-46)37-72)18-22-57(62)58-23-19-52(32-63(58)76)47-13-4-9-43(27-47)38-73/h1-34H
InChIKeyLWBXFEBGNOUJEJ-UHFFFAOYSA-N
XLogP16.59
TPSA128.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.04
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522
2,6-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142502030
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300612
3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
CID 146238055
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142466030
5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238063
5-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465799
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134300631
2,6-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508590
2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162610989
2,6-bis[3-(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571728
4-(3-cyanophenyl)-2-(3-methylcarbazol-9-yl)-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162180279

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (CID 159473488) is 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)c3c2)c1.
What is the InChIKey of 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is LWBXFEBGNOUJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H34F3N7/c67-66(68,69)54-15-5-14-48(28-54)53-33-64(75-60-29-49(44-10-1-6-40(24-44)35-70)16-20-55(60)56-21-17-50(30-61(56)75)45-11-2-7-41(25-45)36-71)59(39-74)65(34-53)76-62-31-51(46-12-3-8-42(26-46)37-72)18-22-57(62)58-23-19-52(32-63(58)76)47-13-4-9-43(27-47)38-73/h1-34H.
What are the key properties of 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 982.04 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 159473488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).