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

C47H26F8N4 — CID 138565668

IUPAC2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESFc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(F)c1
InChIInChI=1S/C47H26F8N4/c48-32-18-22-34(39(49)26-32)36-20-16-30(45-57-43(27-9-3-1-4-10-27)56-44(58-45)28-11-5-2-6-12-28)24-42(36)59-40-14-8-7-13-35(40)37-19-15-29(23-41(37)59)33-21-17-31(46(50,51)52)25-38(33)47(53,54)55/h1-26H
InChIKeyGWJMMAVLCIGBMR-UHFFFAOYSA-N
MW798.74 g/mol
LogP13.62
Rot. Bonds6

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

2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 138565668) has the molecular formula C47H26F8N4 and a molecular weight of 798.74 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID138565668
Molecular FormulaC47H26F8N4
Molecular Weight798.74 g/mol
Exact Mass798.20
IUPAC Name2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESFc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(F)c1
InChIInChI=1S/C47H26F8N4/c48-32-18-22-34(39(49)26-32)36-20-16-30(45-57-43(27-9-3-1-4-10-27)56-44(58-45)28-11-5-2-6-12-28)24-42(36)59-40-14-8-7-13-35(40)37-19-15-29(23-41(37)59)33-21-17-31(46(50,51)52)25-38(33)47(53,54)55/h1-26H
InChIKeyGWJMMAVLCIGBMR-UHFFFAOYSA-N
XLogP13.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.74
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486474
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
2-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137420851
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549374
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 162611729
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 162611758
2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565680
4,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321386
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419887
2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486398
2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555860
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 161015252

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 138565668) is 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is Fc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(F)c1.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is GWJMMAVLCIGBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26F8N4/c48-32-18-22-34(39(49)26-32)36-20-16-30(45-57-43(27-9-3-1-4-10-27)56-44(58-45)28-11-5-2-6-12-28)24-42(36)59-40-14-8-7-13-35(40)37-19-15-29(23-41(37)59)33-21-17-31(46(50,51)52)25-38(33)47(53,54)55/h1-26H.
What are the key properties of 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 798.74 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 138565668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).