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

C21H14F5N — CID 146656335

IUPAC1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)c(F)c(F)c1n2-c1cc(F)c(C)c(F)c1F
InChIInChI=1S/C21H14F5N/c1-9-4-5-15-12(6-9)13-7-10(2)17(23)20(26)21(13)27(15)16-8-14(22)11(3)18(24)19(16)25/h4-8H,1-3H3
InChIKeyIGQZGGDFAOHQNO-UHFFFAOYSA-N
MW375.34 g/mol
LogP6.40
Rot. Bonds1

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

1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole (PubChem CID 146656335) has the molecular formula C21H14F5N and a molecular weight of 375.34 g/mol. Its IUPAC name is 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole.

Molecular Properties

Compound Name1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
PubChem CID146656335
Molecular FormulaC21H14F5N
Molecular Weight375.34 g/mol
Exact Mass375.10
IUPAC Name1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)c(F)c(F)c1n2-c1cc(F)c(C)c(F)c1F
InChIInChI=1S/C21H14F5N/c1-9-4-5-15-12(6-9)13-7-10(2)17(23)20(26)21(13)27(15)16-8-14(22)11(3)18(24)19(16)25/h4-8H,1-3H3
InChIKeyIGQZGGDFAOHQNO-UHFFFAOYSA-N
XLogP6.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The IUPAC name of 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole (CID 146656335) is 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole.
What is the SMILES notation for 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The canonical SMILES for 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole is Cc1ccc2c(c1)c1cc(C)c(F)c(F)c1n2-c1cc(F)c(C)c(F)c1F.
What is the InChIKey of 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The InChIKey is IGQZGGDFAOHQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N/c1-9-4-5-15-12(6-9)13-7-10(2)17(23)20(26)21(13)27(15)16-8-14(22)11(3)18(24)19(16)25/h4-8H,1-3H3.
What are the key properties of 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole has a molecular weight of 375.34 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole is sourced from PubChem (CID 146656335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).