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

C21H15F4N — CID 122431595

IUPAC9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C21H15F4N/c1-12-6-8-17-14(10-12)15-11-13(2)7-9-18(15)26(17)19-5-3-4-16(22)20(19)21(23,24)25/h3-11H,1-2H3
InChIKeyBXCXDSQXWJMJLO-UHFFFAOYSA-N
MW357.35 g/mol
LogP6.56
Rot. Bonds1

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

9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole (PubChem CID 122431595) has the molecular formula C21H15F4N and a molecular weight of 357.35 g/mol. Its IUPAC name is 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
PubChem CID122431595
Molecular FormulaC21H15F4N
Molecular Weight357.35 g/mol
Exact Mass357.11
IUPAC Name9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C21H15F4N/c1-12-6-8-17-14(10-12)15-11-13(2)7-9-18(15)26(17)19-5-3-4-16(22)20(19)21(23,24)25/h3-11H,1-2H3
InChIKeyBXCXDSQXWJMJLO-UHFFFAOYSA-N
XLogP6.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.35
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(2,3-difluorophenyl)-3,6-dimethylcarbazole
CID 122431603
2-fluoro-9-(2-fluorophenyl)-3,6-dimethylcarbazole
CID 146656306
9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4-fluorophenyl)-3,5-bis(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 163637475
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole
CID 146656308
9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 163544817
3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzonitrile
CID 153484741
9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole
CID 139552881
9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
CID 158882715
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
azane;1-fluoro-7-methylnaphthalene
CID 174703926

Frequently Asked Questions

What is the IUPAC name of 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole (CID 122431595) is 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(F)c1C(F)(F)F.
What is the InChIKey of 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is BXCXDSQXWJMJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N/c1-12-6-8-17-14(10-12)15-11-13(2)7-9-18(15)26(17)19-5-3-4-16(22)20(19)21(23,24)25/h3-11H,1-2H3.
What are the key properties of 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole?
9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 357.35 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 122431595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).