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

C55H30F12N4 — CID 155447081

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c1
InChIInChI=1S/C55H30F12N4/c56-52(57,58)37-17-9-15-33(25-37)42-28-36(51-69-49(31-11-3-1-4-12-31)68-50(70-51)32-13-5-2-6-14-32)29-43(34-16-10-18-38(26-34)53(59,60)61)48(42)71-46-20-8-7-19-41(46)44-27-35(21-24-47(44)71)40-23-22-39(54(62,63)64)30-45(40)55(65,66)67/h1-30H
InChIKeyANXAKRDWZBTQCN-UHFFFAOYSA-N
MW974.85 g/mol
LogP17.05
Rot. Bonds7

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

3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 155447081) has the molecular formula C55H30F12N4 and a molecular weight of 974.85 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID155447081
Molecular FormulaC55H30F12N4
Molecular Weight974.85 g/mol
Exact Mass974.23
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c1
InChIInChI=1S/C55H30F12N4/c56-52(57,58)37-17-9-15-33(25-37)42-28-36(51-69-49(31-11-3-1-4-12-31)68-50(70-51)32-13-5-2-6-14-32)29-43(34-16-10-18-38(26-34)53(59,60)61)48(42)71-46-20-8-7-19-41(46)44-27-35(21-24-47(44)71)40-23-22-39(54(62,63)64)30-45(40)55(65,66)67/h1-30H
InChIKeyANXAKRDWZBTQCN-UHFFFAOYSA-N
XLogP17.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.85
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155446573
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447671
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole
CID 147187982
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 153252844
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447143
4-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(4-cyanophenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 155446450
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
3,6-bis(2,4-dimethylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 160520902
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
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 155232340
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
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447546

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 155447081) is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c1.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is ANXAKRDWZBTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30F12N4/c56-52(57,58)37-17-9-15-33(25-37)42-28-36(51-69-49(31-11-3-1-4-12-31)68-50(70-51)32-13-5-2-6-14-32)29-43(34-16-10-18-38(26-34)53(59,60)61)48(42)71-46-20-8-7-19-41(46)44-27-35(21-24-47(44)71)40-23-22-39(54(62,63)64)30-45(40)55(65,66)67/h1-30H.
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole?
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 974.85 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 155447081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).