1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone

C23H21NO — CID 91317353

IUPAC1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone
SMILESCCn1c2ccc(C(C)=O)cc2c2cc(-c3ccccc3C)ccc21
InChIInChI=1S/C23H21NO/c1-4-24-22-11-9-17(16(3)25)13-20(22)21-14-18(10-12-23(21)24)19-8-6-5-7-15(19)2/h5-14H,4H2,1-3H3
InChIKeyGXXWDWKCUYZIRQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.99
Rot. Bonds3

About 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone

1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone (PubChem CID 91317353) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone
PubChem CID91317353
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone
SMILESCCn1c2ccc(C(C)=O)cc2c2cc(-c3ccccc3C)ccc21
InChIInChI=1S/C23H21NO/c1-4-24-22-11-9-17(16(3)25)13-20(22)21-14-18(10-12-23(21)24)19-8-6-5-7-15(19)2/h5-14H,4H2,1-3H3
InChIKeyGXXWDWKCUYZIRQ-UHFFFAOYSA-N
XLogP5.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone?
The IUPAC name of 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone (CID 91317353) is 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone.
What is the SMILES notation for 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone?
The canonical SMILES for 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone is CCn1c2ccc(C(C)=O)cc2c2cc(-c3ccccc3C)ccc21.
What is the InChIKey of 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone?
The InChIKey is GXXWDWKCUYZIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-4-24-22-11-9-17(16(3)25)13-20(22)21-14-18(10-12-23(21)24)19-8-6-5-7-15(19)2/h5-14H,4H2,1-3H3.
What are the key properties of 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone?
1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone is sourced from PubChem (CID 91317353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).