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

C21H14F5N — CID 146656336

IUPAC2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1c(F)c(C)c(F)cc1n2-c1cc(F)c(C)c(F)c1F
InChIInChI=1S/C21H14F5N/c1-9-4-5-15-12(6-9)18-16(7-13(22)10(2)19(18)24)27(15)17-8-14(23)11(3)20(25)21(17)26/h4-8H,1-3H3
InChIKeyPETWQAIFMFUOQI-UHFFFAOYSA-N
MW375.34 g/mol
LogP6.40
Rot. Bonds1

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

2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole (PubChem CID 146656336) has the molecular formula C21H14F5N and a molecular weight of 375.34 g/mol. Its IUPAC name is 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole.

Molecular Properties

Compound Name2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
PubChem CID146656336
Molecular FormulaC21H14F5N
Molecular Weight375.34 g/mol
Exact Mass375.10
IUPAC Name2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1c(F)c(C)c(F)cc1n2-c1cc(F)c(C)c(F)c1F
InChIInChI=1S/C21H14F5N/c1-9-4-5-15-12(6-9)18-16(7-13(22)10(2)19(18)24)27(15)17-8-14(23)11(3)20(25)21(17)26/h4-8H,1-3H3
InChIKeyPETWQAIFMFUOQI-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'}

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Related Compounds

1-fluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
CID 146656334
1,2-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole
CID 146656335
3,6-dimethyl-9-(2,3,4-trifluorophenyl)carbazole
CID 146656308
9-(2,3-difluorophenyl)-3,6-dimethylcarbazole
CID 122431603
2-fluoro-9-(2-fluorophenyl)-3,6-dimethylcarbazole
CID 146656306
9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 122431595
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
9-[6-(3,6-dimethylcarbazol-9-yl)pyren-2-yl]-3,6-dimethylcarbazole
CID 126500907
9-(2,5-dimethylphenyl)-5,14,18-trimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 170280189
9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
CID 158882715
1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159450283

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The IUPAC name of 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole (CID 146656336) is 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole.
What is the SMILES notation for 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The canonical SMILES for 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole is Cc1ccc2c(c1)c1c(F)c(C)c(F)cc1n2-c1cc(F)c(C)c(F)c1F.
What is the InChIKey of 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
The InChIKey is PETWQAIFMFUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N/c1-9-4-5-15-12(6-9)18-16(7-13(22)10(2)19(18)24)27(15)17-8-14(23)11(3)20(25)21(17)26/h4-8H,1-3H3.
What are the key properties of 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole?
2,4-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 2,4-difluoro-3,6-dimethyl-9-(2,3,5-trifluoro-4-methylphenyl)carbazole is sourced from PubChem (CID 146656336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).