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

C34H21F3N4 — CID 169287117

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C34H21F3N4/c35-34(36,37)27-21-24(19-20-30(27)41-28-17-9-7-15-25(28)26-16-8-10-18-29(26)41)33-39-31(22-11-3-1-4-12-22)38-32(40-33)23-13-5-2-6-14-23/h1-21H
InChIKeyIQHDTMUBPZWJPZ-UHFFFAOYSA-N
MW542.56 g/mol
LogP8.99
Rot. Bonds4

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 169287117) has the molecular formula C34H21F3N4 and a molecular weight of 542.56 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
PubChem CID169287117
Molecular FormulaC34H21F3N4
Molecular Weight542.56 g/mol
Exact Mass542.17
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C34H21F3N4/c35-34(36,37)27-21-24(19-20-30(27)41-28-17-9-7-15-25(28)26-16-8-10-18-29(26)41)33-39-31(22-11-3-1-4-12-22)38-32(40-33)23-13-5-2-6-14-23/h1-21H
InChIKeyIQHDTMUBPZWJPZ-UHFFFAOYSA-N
XLogP8.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.56
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole
CID 170444614
9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 170444550
9-[2-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]carbazole
CID 169059900
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 134321059
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267862
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138554823
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
3-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486806
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)-6-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138554678

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole (CID 169287117) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is IQHDTMUBPZWJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F3N4/c35-34(36,37)27-21-24(19-20-30(27)41-28-17-9-7-15-25(28)26-16-8-10-18-29(26)41)33-39-31(22-11-3-1-4-12-22)38-32(40-33)23-13-5-2-6-14-23/h1-21H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 542.56 g/mol, XLogP of 8.99, 4 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)-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 169287117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).