5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile

C26H14F3N5 — CID 174343888

IUPAC5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile
SMILESCc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2cnc(C#N)nc2)cc1C#N
InChIInChI=1S/C26H14F3N5/c1-15-2-5-23-20(8-15)21-10-19(26(27,28)29)4-7-24(21)34(23)22-6-3-16(9-17(22)11-30)18-13-32-25(12-31)33-14-18/h2-10,13-14H,1H3
InChIKeyZJQMDBFMFTXJOE-UHFFFAOYSA-N
MW453.43 g/mol
LogP6.31
Rot. Bonds2

About 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile

5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile (PubChem CID 174343888) has the molecular formula C26H14F3N5 and a molecular weight of 453.43 g/mol. Its IUPAC name is 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile
PubChem CID174343888
Molecular FormulaC26H14F3N5
Molecular Weight453.43 g/mol
Exact Mass453.12
IUPAC Name5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile
SMILESCc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2cnc(C#N)nc2)cc1C#N
InChIInChI=1S/C26H14F3N5/c1-15-2-5-23-20(8-15)21-10-19(26(27,28)29)4-7-24(21)34(23)22-6-3-16(9-17(22)11-30)18-13-32-25(12-31)33-14-18/h2-10,13-14H,1H3
InChIKeyZJQMDBFMFTXJOE-UHFFFAOYSA-N
XLogP6.31
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.43
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile
CID 174343626
5-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-2-carbonitrile
CID 174343939
4-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyanophenyl]-2-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 160559431
5-[4-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-2-carbonitrile
CID 165401521
5-[3-cyano-4-[2-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile
CID 174343894
5-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-2-carbonitrile
CID 174343958
3-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)benzonitrile
CID 159604843
2-[3-(3,6-dimethylcarbazol-9-yl)-4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 159473587
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 138499140
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-4-(3-methylcarbazol-9-yl)benzonitrile
CID 138499437
3-[4-[5-cyano-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 159701387
4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 158566298

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile (CID 174343888) is 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile is Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2cnc(C#N)nc2)cc1C#N.
What is the InChIKey of 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile?
The InChIKey is ZJQMDBFMFTXJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F3N5/c1-15-2-5-23-20(8-15)21-10-19(26(27,28)29)4-7-24(21)34(23)22-6-3-16(9-17(22)11-30)18-13-32-25(12-31)33-14-18/h2-10,13-14H,1H3.
What are the key properties of 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile?
5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile has a molecular weight of 453.43 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 174343888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).