9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole

C39H24F3N5 — CID 162573022

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c3ccccc3n(-c3ccc(-c4ccncc4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C39H24F3N5/c40-39(41,42)29-16-17-31-30-13-7-8-14-33(30)47(35(31)24-29)34-18-15-28(25-19-21-43-22-20-25)23-32(34)38-45-36(26-9-3-1-4-10-26)44-37(46-38)27-11-5-2-6-12-27/h1-24H
InChIKeyMAHWHPZAVUHOAB-UHFFFAOYSA-N
MW619.65 g/mol
LogP10.05
Rot. Bonds5

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole (PubChem CID 162573022) has the molecular formula C39H24F3N5 and a molecular weight of 619.65 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole
PubChem CID162573022
Molecular FormulaC39H24F3N5
Molecular Weight619.65 g/mol
Exact Mass619.20
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c3ccccc3n(-c3ccc(-c4ccncc4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C39H24F3N5/c40-39(41,42)29-16-17-31-30-13-7-8-14-33(30)47(35(31)24-29)34-18-15-28(25-19-21-43-22-20-25)23-32(34)38-45-36(26-9-3-1-4-10-26)44-37(46-38)27-11-5-2-6-12-27/h1-24H
InChIKeyMAHWHPZAVUHOAB-UHFFFAOYSA-N
XLogP10.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.65
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole
CID 137414604
2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486383
2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579340
2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 138579172
2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole
CID 162052120
2-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137420851
9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138565827
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-fluorophenyl)phenyl]carbazole
CID 138549730
9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138712829
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 138554386
9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 159135783

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole (CID 162573022) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c3ccccc3n(-c3ccc(-c4ccncc4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole?
The InChIKey is MAHWHPZAVUHOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F3N5/c40-39(41,42)29-16-17-31-30-13-7-8-14-33(30)47(35(31)24-29)34-18-15-28(25-19-21-43-22-20-25)23-32(34)38-45-36(26-9-3-1-4-10-26)44-37(46-38)27-11-5-2-6-12-27/h1-24H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole has a molecular weight of 619.65 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole is sourced from PubChem (CID 162573022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).