5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile

C41H25F3N4 — CID 162612235

IUPAC5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4cc(C#N)cc(C#N)c4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1
InChIInChI=1S/C41H25F3N4/c1-24-11-13-32-30-7-3-5-9-34(30)47(36(32)15-24)38-20-29(28-18-26(22-45)17-27(19-28)23-46)21-39(40(38)41(42,43)44)48-35-10-6-4-8-31(35)33-14-12-25(2)16-37(33)48/h3-21H,1-2H3
InChIKeyVEPRRPYUEDZPGL-UHFFFAOYSA-N
MW630.67 g/mol
LogP10.93
Rot. Bonds3

About 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile

5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 162612235) has the molecular formula C41H25F3N4 and a molecular weight of 630.67 g/mol. Its IUPAC name is 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID162612235
Molecular FormulaC41H25F3N4
Molecular Weight630.67 g/mol
Exact Mass630.20
IUPAC Name5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4cc(C#N)cc(C#N)c4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1
InChIInChI=1S/C41H25F3N4/c1-24-11-13-32-30-7-3-5-9-34(30)47(36(32)15-24)38-20-29(28-18-26(22-45)17-27(19-28)23-46)21-39(40(38)41(42,43)44)48-35-10-6-4-8-31(35)33-14-12-25(2)16-37(33)48/h3-21H,1-2H3
InChIKeyVEPRRPYUEDZPGL-UHFFFAOYSA-N
XLogP10.93
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.67
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3,5-di(carbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 139538793
5-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612242
5-[3,5-bis(3-cyanocarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612245
5-[3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612269
5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612272
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
2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159646569
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
3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 160603792
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
CID 138565472
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
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 137392780

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile (CID 162612235) is 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile is Cc1ccc2c3ccccc3n(-c3cc(-c4cc(C#N)cc(C#N)c4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1.
What is the InChIKey of 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is VEPRRPYUEDZPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F3N4/c1-24-11-13-32-30-7-3-5-9-34(30)47(36(32)15-24)38-20-29(28-18-26(22-45)17-27(19-28)23-46)21-39(40(38)41(42,43)44)48-35-10-6-4-8-31(35)33-14-12-25(2)16-37(33)48/h3-21H,1-2H3.
What are the key properties of 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile?
5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 630.67 g/mol, XLogP of 10.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 162612235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).