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

C47H31F3N4 — CID 156509806

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C47H31F3N4/c1-30-14-8-9-19-35(30)33-24-27-43-40(28-33)37-21-11-13-23-42(37)54(43)34-25-26-38(39(29-34)36-20-10-12-22-41(36)47(48,49)50)46-52-44(31-15-4-2-5-16-31)51-45(53-46)32-17-6-3-7-18-32/h2-29H,1H3
InChIKeyAHYXZAJGCLANPG-UHFFFAOYSA-N
MW708.79 g/mol
LogP12.63
Rot. Bonds6

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole (PubChem CID 156509806) has the molecular formula C47H31F3N4 and a molecular weight of 708.79 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
PubChem CID156509806
Molecular FormulaC47H31F3N4
Molecular Weight708.79 g/mol
Exact Mass708.25
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C47H31F3N4/c1-30-14-8-9-19-35(30)33-24-27-43-40(28-33)37-21-11-13-23-42(37)54(43)34-25-26-38(39(29-34)36-20-10-12-22-41(36)47(48,49)50)46-52-44(31-15-4-2-5-16-31)51-45(53-46)32-17-6-3-7-18-32/h2-29H,1H3
InChIKeyAHYXZAJGCLANPG-UHFFFAOYSA-N
XLogP12.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.79
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509847
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 166669944
3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486703
4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 156509870
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 138486861
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 159040999
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 138486673
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 156509734
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole
CID 162611736
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 138486679
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole (CID 156509806) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole?
The InChIKey is AHYXZAJGCLANPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31F3N4/c1-30-14-8-9-19-35(30)33-24-27-43-40(28-33)37-21-11-13-23-42(37)54(43)34-25-26-38(39(29-34)36-20-10-12-22-41(36)47(48,49)50)46-52-44(31-15-4-2-5-16-31)51-45(53-46)32-17-6-3-7-18-32/h2-29H,1H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole has a molecular weight of 708.79 g/mol, XLogP of 12.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 156509806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).