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

C52H32F3N5 — CID 169059849

IUPAC9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H32F3N5/c53-52(54,55)48-40(24-15-29-47(48)60-45-27-13-9-22-38(45)39-23-10-14-28-46(39)60)42-32-35(59-43-25-11-7-20-36(43)37-21-8-12-26-44(37)59)30-31-41(42)51-57-49(33-16-3-1-4-17-33)56-50(58-51)34-18-5-2-6-19-34/h1-32H
InChIKeyRLKZQISOUHCLBW-UHFFFAOYSA-N
MW783.86 g/mol
LogP13.75
Rot. Bonds6

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

9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 169059849) has the molecular formula C52H32F3N5 and a molecular weight of 783.86 g/mol. Its IUPAC name is 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
PubChem CID169059849
Molecular FormulaC52H32F3N5
Molecular Weight783.86 g/mol
Exact Mass783.26
IUPAC Name9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H32F3N5/c53-52(54,55)48-40(24-15-29-47(48)60-45-27-13-9-22-38(45)39-23-10-14-28-46(39)60)42-32-35(59-43-25-11-7-20-36(43)37-21-8-12-26-44(37)59)30-31-41(42)51-57-49(33-16-3-1-4-17-33)56-50(58-51)34-18-5-2-6-19-34/h1-32H
InChIKeyRLKZQISOUHCLBW-UHFFFAOYSA-N
XLogP13.75
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.86
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-di(carbazol-9-yl)-9-[3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 169059872
9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 169060017
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-[2-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]carbazole
CID 169059833
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 134321059
5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 138554841
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509810
9-[3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 169059962
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
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
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-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854

Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole (CID 169059849) is 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is RLKZQISOUHCLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F3N5/c53-52(54,55)48-40(24-15-29-47(48)60-45-27-13-9-22-38(45)39-23-10-14-28-46(39)60)42-32-35(59-43-25-11-7-20-36(43)37-21-8-12-26-44(37)59)30-31-41(42)51-57-49(33-16-3-1-4-17-33)56-50(58-51)34-18-5-2-6-19-34/h1-32H.
What are the key properties of 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 783.86 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 169059849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).