9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole

C31H19F4N — CID 122431493

IUPAC9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
SMILESFc1ccc(C(F)(F)F)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C31H19F4N/c32-27-14-13-24(31(33,34)35)19-30(27)36-28-15-11-22(20-7-3-1-4-8-20)17-25(28)26-18-23(12-16-29(26)36)21-9-5-2-6-10-21/h1-19H
InChIKeyMGERGJZKGBANTO-UHFFFAOYSA-N
MW481.49 g/mol
LogP9.28
Rot. Bonds3

About 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole

9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole (PubChem CID 122431493) has the molecular formula C31H19F4N and a molecular weight of 481.49 g/mol. Its IUPAC name is 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
PubChem CID122431493
Molecular FormulaC31H19F4N
Molecular Weight481.49 g/mol
Exact Mass481.15
IUPAC Name9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
SMILESFc1ccc(C(F)(F)F)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C31H19F4N/c32-27-14-13-24(31(33,34)35)19-30(27)36-28-15-11-22(20-7-3-1-4-8-20)17-25(28)26-18-23(12-16-29(26)36)21-9-5-2-6-10-21/h1-19H
InChIKeyMGERGJZKGBANTO-UHFFFAOYSA-N
XLogP9.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.49
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole 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

9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162571767
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole
CID 134343654
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
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138554301
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 138554386
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 138486422
3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole
CID 169284873

Frequently Asked Questions

What is the IUPAC name of 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole (CID 122431493) is 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole is Fc1ccc(C(F)(F)F)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is MGERGJZKGBANTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F4N/c32-27-14-13-24(31(33,34)35)19-30(27)36-28-15-11-22(20-7-3-1-4-8-20)17-25(28)26-18-23(12-16-29(26)36)21-9-5-2-6-10-21/h1-19H.
What are the key properties of 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 481.49 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 122431493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).