2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone

C24H23NOS — CID 4018146

IUPAC2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone
SMILESCC(C)(C)c1ccc(SCC(=O)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C24H23NOS/c1-24(2,3)17-12-14-18(15-13-17)27-16-23(26)25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-15H,16H2,1-3H3
InChIKeyGPMYCIRMXAKZFH-UHFFFAOYSA-N
MW373.52 g/mol
LogP6.52
Rot. Bonds3

About 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone

2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone (PubChem CID 4018146) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone
PubChem CID4018146
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone
SMILESCC(C)(C)c1ccc(SCC(=O)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C24H23NOS/c1-24(2,3)17-12-14-18(15-13-17)27-16-23(26)25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-15H,16H2,1-3H3
InChIKeyGPMYCIRMXAKZFH-UHFFFAOYSA-N
XLogP6.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone (CID 4018146) is 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone is CC(C)(C)c1ccc(SCC(=O)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone?
The InChIKey is GPMYCIRMXAKZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS/c1-24(2,3)17-12-14-18(15-13-17)27-16-23(26)25-21-10-6-4-8-19(21)20-9-5-7-11-22(20)25/h4-15H,16H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone?
2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone has a molecular weight of 373.52 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-1-carbazol-9-ylethanone is sourced from PubChem (CID 4018146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).