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

C51H33F2N3 — CID 142489544

IUPAC4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(F)cc(F)c5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4C#N)c3c2)cc1
InChIInChI=1S/C51H33F2N3/c1-31-11-15-33(16-12-31)35-19-21-43-41-7-3-5-9-46(41)55(48(43)25-35)50-27-38(37-23-39(52)29-40(53)24-37)28-51(45(50)30-54)56-47-10-6-4-8-42(47)44-22-20-36(26-49(44)56)34-17-13-32(2)14-18-34/h3-29H,1-2H3
InChIKeyKWLYKZUSKOIGOH-UHFFFAOYSA-N
MW725.84 g/mol
LogP13.65
Rot. Bonds5

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

4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 142489544) has the molecular formula C51H33F2N3 and a molecular weight of 725.84 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
PubChem CID142489544
Molecular FormulaC51H33F2N3
Molecular Weight725.84 g/mol
Exact Mass725.26
IUPAC Name4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(F)cc(F)c5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4C#N)c3c2)cc1
InChIInChI=1S/C51H33F2N3/c1-31-11-15-33(16-12-31)35-19-21-43-41-7-3-5-9-46(41)55(48(43)25-35)50-27-38(37-23-39(52)29-40(53)24-37)28-51(45(50)30-54)56-47-10-6-4-8-42(47)44-22-20-36(26-49(44)56)34-17-13-32(2)14-18-34/h3-29H,1-2H3
InChIKeyKWLYKZUSKOIGOH-UHFFFAOYSA-N
XLogP13.65
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.84
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 155646771
2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile
CID 154959862
2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295725
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-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
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
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-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296278
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 161454396
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile (CID 142489544) is 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile is Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(F)cc(F)c5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4C#N)c3c2)cc1.
What is the InChIKey of 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is KWLYKZUSKOIGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33F2N3/c1-31-11-15-33(16-12-31)35-19-21-43-41-7-3-5-9-46(41)55(48(43)25-35)50-27-38(37-23-39(52)29-40(53)24-37)28-51(45(50)30-54)56-47-10-6-4-8-42(47)44-22-20-36(26-49(44)56)34-17-13-32(2)14-18-34/h3-29H,1-2H3.
What are the key properties of 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile?
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 725.84 g/mol, XLogP of 13.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 142489544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).