3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole

C20H14F3N — CID 146656308

IUPAC3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(F)c(F)c1F
InChIInChI=1S/C20H14F3N/c1-11-3-6-16-13(9-11)14-10-12(2)4-7-17(14)24(16)18-8-5-15(21)19(22)20(18)23/h3-10H,1-2H3
InChIKeyXZSWBGWXXFFYMD-UHFFFAOYSA-N
MW325.33 g/mol
LogP5.82
Rot. Bonds1

About 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole

3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole (PubChem CID 146656308) has the molecular formula C20H14F3N and a molecular weight of 325.33 g/mol. Its IUPAC name is 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole
PubChem CID146656308
Molecular FormulaC20H14F3N
Molecular Weight325.33 g/mol
Exact Mass325.11
IUPAC Name3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(F)c(F)c1F
InChIInChI=1S/C20H14F3N/c1-11-3-6-16-13(9-11)14-10-12(2)4-7-17(14)24(16)18-8-5-15(21)19(22)20(18)23/h3-10H,1-2H3
InChIKeyXZSWBGWXXFFYMD-UHFFFAOYSA-N
XLogP5.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.33
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole?
The IUPAC name of 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole (CID 146656308) is 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole.
What is the SMILES notation for 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole?
The canonical SMILES for 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(F)c(F)c1F.
What is the InChIKey of 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole?
The InChIKey is XZSWBGWXXFFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N/c1-11-3-6-16-13(9-11)14-10-12(2)4-7-17(14)24(16)18-8-5-15(21)19(22)20(18)23/h3-10H,1-2H3.
What are the key properties of 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole?
3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole has a molecular weight of 325.33 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole is sourced from PubChem (CID 146656308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).