1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole

C21H15F4N — CID 146655153

IUPAC1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
SMILESCc1ccc(-n2c3c(F)cc(C)cc3c3c(F)c(C)cc(F)c32)c(F)c1
InChIInChI=1S/C21H15F4N/c1-10-4-5-17(14(22)7-10)26-20-13(6-11(2)8-15(20)23)18-19(25)12(3)9-16(24)21(18)26/h4-9H,1-3H3
InChIKeyLSIVYRFZWPORLK-UHFFFAOYSA-N
MW357.35 g/mol
LogP6.27
Rot. Bonds1

About 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole

1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole (PubChem CID 146655153) has the molecular formula C21H15F4N and a molecular weight of 357.35 g/mol. Its IUPAC name is 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
PubChem CID146655153
Molecular FormulaC21H15F4N
Molecular Weight357.35 g/mol
Exact Mass357.11
IUPAC Name1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole
SMILESCc1ccc(-n2c3c(F)cc(C)cc3c3c(F)c(C)cc(F)c32)c(F)c1
InChIInChI=1S/C21H15F4N/c1-10-4-5-17(14(22)7-10)26-20-13(6-11(2)8-15(20)23)18-19(25)12(3)9-16(24)21(18)26/h4-9H,1-3H3
InChIKeyLSIVYRFZWPORLK-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

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Frequently Asked Questions

What is the IUPAC name of 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole?
The IUPAC name of 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole (CID 146655153) is 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole.
What is the SMILES notation for 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole?
The canonical SMILES for 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole is Cc1ccc(-n2c3c(F)cc(C)cc3c3c(F)c(C)cc(F)c32)c(F)c1.
What is the InChIKey of 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole?
The InChIKey is LSIVYRFZWPORLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N/c1-10-4-5-17(14(22)7-10)26-20-13(6-11(2)8-15(20)23)18-19(25)12(3)9-16(24)21(18)26/h4-9H,1-3H3.
What are the key properties of 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole?
1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole 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 1,4,8-trifluoro-9-(2-fluoro-4-methylphenyl)-3,6-dimethylcarbazole is sourced from PubChem (CID 146655153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).