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

C41H27F3N4 — CID 138486436

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4cccc(C(F)(F)F)c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C41H27F3N4/c1-26-19-21-34-33-17-8-9-18-36(33)48(37(34)23-26)31-20-22-32(29-15-10-16-30(24-29)41(42,43)44)35(25-31)40-46-38(27-11-4-2-5-12-27)45-39(47-40)28-13-6-3-7-14-28/h2-25H,1H3
InChIKeyQRAMMGGOAUNJMR-UHFFFAOYSA-N
MW632.69 g/mol
LogP10.96
Rot. Bonds5

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

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole (PubChem CID 138486436) has the molecular formula C41H27F3N4 and a molecular weight of 632.69 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
PubChem CID138486436
Molecular FormulaC41H27F3N4
Molecular Weight632.69 g/mol
Exact Mass632.22
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4cccc(C(F)(F)F)c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C41H27F3N4/c1-26-19-21-34-33-17-8-9-18-36(33)48(37(34)23-26)31-20-22-32(29-15-10-16-30(24-29)41(42,43)44)35(25-31)40-46-38(27-11-4-2-5-12-27)45-39(47-40)28-13-6-3-7-14-28/h2-25H,1H3
InChIKeyQRAMMGGOAUNJMR-UHFFFAOYSA-N
XLogP10.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.69
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)carbazole
CID 138486456
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509810
2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486570
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 170097956
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486289
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole
CID 159546034
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138549656
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
CID 156509710
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
CID 138578667

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole (CID 138486436) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole is Cc1ccc2c3ccccc3n(-c3ccc(-c4cccc(C(F)(F)F)c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole?
The InChIKey is QRAMMGGOAUNJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27F3N4/c1-26-19-21-34-33-17-8-9-18-36(33)48(37(34)23-26)31-20-22-32(29-15-10-16-30(24-29)41(42,43)44)35(25-31)40-46-38(27-11-4-2-5-12-27)45-39(47-40)28-13-6-3-7-14-28/h2-25H,1H3.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole has a molecular weight of 632.69 g/mol, XLogP of 10.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole is sourced from PubChem (CID 138486436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).