1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole

C21H15F4N — CID 146656334

IUPAC1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)cc(F)c1n2-c1cc(F)c(C)c(F)c1F
InChIInChI=1S/C21H15F4N/c1-10-4-5-17-13(6-10)14-7-11(2)8-16(23)21(14)26(17)18-9-15(22)12(3)19(24)20(18)25/h4-9H,1-3H3
InChIKeyRMFACEFMCDIVPN-UHFFFAOYSA-N
MW357.35 g/mol
LogP6.27
Rot. Bonds1

About 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole

1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole (PubChem CID 146656334) has the molecular formula C21H15F4N and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole.

Molecular Properties

Compound Name1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
PubChem CID146656334
Molecular FormulaC21H15F4N
Molecular Weight357.35 g/mol
Exact Mass357.11
IUPAC Name1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)cc(F)c1n2-c1cc(F)c(C)c(F)c1F
InChIInChI=1S/C21H15F4N/c1-10-4-5-17-13(6-10)14-7-11(2)8-16(23)21(14)26(17)18-9-15(22)12(3)19(24)20(18)25/h4-9H,1-3H3
InChIKeyRMFACEFMCDIVPN-UHFFFAOYSA-N
XLogP6.27
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 ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
CID 146656335
2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
CID 146656336
1,8-difluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
CID 146656332
3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole
CID 146656308
9-(2,3-difluorophenyl)-3,6-dimethylcarbazole
CID 122431603
1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
CID 146655153
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene
CID 160856568
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159450283
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
2-fluoro-9-(2-fluorophenyl)-3,6-dimethylcarbazole
CID 146656306
9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 122431595

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The IUPAC name of 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole (CID 146656334) is 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole.
What is the SMILES notation for 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The canonical SMILES for 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole is Cc1ccc2c(c1)c1cc(C)cc(F)c1n2-c1cc(F)c(C)c(F)c1F.
What is the InChIKey of 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The InChIKey is RMFACEFMCDIVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N/c1-10-4-5-17-13(6-10)14-7-11(2)8-16(23)21(14)26(17)18-9-15(22)12(3)19(24)20(18)25/h4-9H,1-3H3.
What are the key properties of 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole has a molecular weight of 357.35 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole is sourced from PubChem (CID 146656334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).