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

C51H27F2N5 — CID 154959862

IUPAC2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4cc(F)cc(F)c4)cc(-n4c5ccccc5c5ccc(-c6ccccc6C#N)cc54)c3C#N)c2c1
InChIInChI=1S/C51H27F2N5/c52-37-21-35(22-38(53)27-37)36-25-50(57-46-15-7-5-13-41(46)43-19-17-31(23-48(43)57)39-11-3-1-9-33(39)28-54)45(30-56)51(26-36)58-47-16-8-6-14-42(47)44-20-18-32(24-49(44)58)40-12-4-2-10-34(40)29-55/h1-27H
InChIKeyRHUVZRLEVBUMDG-UHFFFAOYSA-N
MW747.81 g/mol
LogP12.78
Rot. Bonds5

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

2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile (PubChem CID 154959862) has the molecular formula C51H27F2N5 and a molecular weight of 747.81 g/mol. Its IUPAC name is 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile
PubChem CID154959862
Molecular FormulaC51H27F2N5
Molecular Weight747.81 g/mol
Exact Mass747.22
IUPAC Name2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4cc(F)cc(F)c4)cc(-n4c5ccccc5c5ccc(-c6ccccc6C#N)cc54)c3C#N)c2c1
InChIInChI=1S/C51H27F2N5/c52-37-21-35(22-38(53)27-37)36-25-50(57-46-15-7-5-13-41(46)43-19-17-31(23-48(43)57)39-11-3-1-9-33(39)28-54)45(30-56)51(26-36)58-47-16-8-6-14-42(47)44-20-18-32(24-49(44)58)40-12-4-2-10-34(40)29-55/h1-27H
InChIKeyRHUVZRLEVBUMDG-UHFFFAOYSA-N
XLogP12.78
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.81
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile
CID 152833052
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 142489544
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
CID 134300219
2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146519971
2-[9-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 154960288
5-[3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612269
2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
CID 142555854
4-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465875
4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 147225252
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
5-[9-[2-cyano-5-(3,5-dicyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 139538914
2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile;2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile;4-(3,5-difluorophenyl)-2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile;4-(3,5-difluorophenyl)-2,6-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 158091253

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile?
The IUPAC name of 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile (CID 154959862) is 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile.
What is the SMILES notation for 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile?
The canonical SMILES for 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile is N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4cc(F)cc(F)c4)cc(-n4c5ccccc5c5ccc(-c6ccccc6C#N)cc54)c3C#N)c2c1.
What is the InChIKey of 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile?
The InChIKey is RHUVZRLEVBUMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H27F2N5/c52-37-21-35(22-38(53)27-37)36-25-50(57-46-15-7-5-13-41(46)43-19-17-31(23-48(43)57)39-11-3-1-9-33(39)28-54)45(30-56)51(26-36)58-47-16-8-6-14-42(47)44-20-18-32(24-49(44)58)40-12-4-2-10-34(40)29-55/h1-27H.
What are the key properties of 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile?
2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile has a molecular weight of 747.81 g/mol, XLogP of 12.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile is sourced from PubChem (CID 154959862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).