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

C41H24F6N4 — CID 156509710

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc(-c2ccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H24F6N4/c42-40(43,44)28-17-15-25(16-18-28)31-21-20-30(51-35-14-8-7-13-32(35)33-23-29(41(45,46)47)19-22-36(33)51)24-34(31)39-49-37(26-9-3-1-4-10-26)48-38(50-39)27-11-5-2-6-12-27/h1-24H
InChIKeyUFJNMCVAFPIZCF-UHFFFAOYSA-N
MW686.66 g/mol
LogP11.67
Rot. Bonds5

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

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole (PubChem CID 156509710) has the molecular formula C41H24F6N4 and a molecular weight of 686.66 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
PubChem CID156509710
Molecular FormulaC41H24F6N4
Molecular Weight686.66 g/mol
Exact Mass686.19
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc(-c2ccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H24F6N4/c42-40(43,44)28-17-15-25(16-18-28)31-21-20-30(51-35-14-8-7-13-32(35)33-23-29(41(45,46)47)19-22-36(33)51)24-34(31)39-49-37(26-9-3-1-4-10-26)48-38(50-39)27-11-5-2-6-12-27/h1-24H
InChIKeyUFJNMCVAFPIZCF-UHFFFAOYSA-N
XLogP11.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.66
LogP ≤ 511.67
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-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
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-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 142543846
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138549660
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]-7-[5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazole
CID 156509701
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 138486817
3-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142543965
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 161243384
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)carbazole
CID 138486456

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole (CID 156509710) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole is FC(F)(F)c1ccc(-c2ccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole?
The InChIKey is UFJNMCVAFPIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F6N4/c42-40(43,44)28-17-15-25(16-18-28)31-21-20-30(51-35-14-8-7-13-32(35)33-23-29(41(45,46)47)19-22-36(33)51)24-34(31)39-49-37(26-9-3-1-4-10-26)48-38(50-39)27-11-5-2-6-12-27/h1-24H.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole has a molecular weight of 686.66 g/mol, XLogP of 11.67, 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-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 156509710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).