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

C48H27F9N4 — CID 138486474

IUPAC2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-c4ccccc4C(F)(F)F)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C48H27F9N4/c49-46(50,51)32-21-24-33(39(27-32)48(55,56)57)30-19-22-37-35-16-8-10-18-40(35)61(41(37)25-30)42-26-31(20-23-36(42)34-15-7-9-17-38(34)47(52,53)54)45-59-43(28-11-3-1-4-12-28)58-44(60-45)29-13-5-2-6-14-29/h1-27H
InChIKeyUVJQYPMJJWVLOR-UHFFFAOYSA-N
MW830.75 g/mol
LogP14.36
Rot. Bonds6

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

2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 138486474) has the molecular formula C48H27F9N4 and a molecular weight of 830.75 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID138486474
Molecular FormulaC48H27F9N4
Molecular Weight830.75 g/mol
Exact Mass830.21
IUPAC Name2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-c4ccccc4C(F)(F)F)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C48H27F9N4/c49-46(50,51)32-21-24-33(39(27-32)48(55,56)57)30-19-22-37-35-16-8-10-18-40(35)61(41(37)25-30)42-26-31(20-23-36(42)34-15-7-9-17-38(34)47(52,53)54)45-59-43(28-11-3-1-4-12-28)58-44(60-45)29-13-5-2-6-14-29/h1-27H
InChIKeyUVJQYPMJJWVLOR-UHFFFAOYSA-N
XLogP14.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.75
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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
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
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486662
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874
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
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
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549374
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419887
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 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) is 2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-c4ccccc4C(F)(F)F)c3c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is UVJQYPMJJWVLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27F9N4/c49-46(50,51)32-21-24-33(39(27-32)48(55,56)57)30-19-22-37-35-16-8-10-18-40(35)61(41(37)25-30)42-26-31(20-23-36(42)34-15-7-9-17-38(34)47(52,53)54)45-59-43(28-11-3-1-4-12-28)58-44(60-45)29-13-5-2-6-14-29/h1-27H.
What are the key properties of 2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 830.75 g/mol, XLogP of 14.36, 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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 138486474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).