5-ethylbenzo[b]carbazole-6-carbaldehyde

C19H15NO — CID 14770234

IUPAC5-ethylbenzo[b]carbazole-6-carbaldehyde
SMILESCCn1c2ccccc2c2cc3ccccc3c(C=O)c21
InChIInChI=1S/C19H15NO/c1-2-20-18-10-6-5-9-15(18)16-11-13-7-3-4-8-14(13)17(12-21)19(16)20/h3-12H,2H2,1H3
InChIKeyVKLBFCXQETVGOJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.78
Rot. Bonds2

About 5-ethylbenzo[b]carbazole-6-carbaldehyde

5-ethylbenzo[b]carbazole-6-carbaldehyde (PubChem CID 14770234) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-ethylbenzo[b]carbazole-6-carbaldehyde.

Molecular Properties

Compound Name5-ethylbenzo[b]carbazole-6-carbaldehyde
PubChem CID14770234
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name5-ethylbenzo[b]carbazole-6-carbaldehyde
SMILESCCn1c2ccccc2c2cc3ccccc3c(C=O)c21
InChIInChI=1S/C19H15NO/c1-2-20-18-10-6-5-9-15(18)16-11-13-7-3-4-8-14(13)17(12-21)19(16)20/h3-12H,2H2,1H3
InChIKeyVKLBFCXQETVGOJ-UHFFFAOYSA-N
XLogP4.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethylbenzo[b]carbazole-6-carbaldehyde 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 5-ethylbenzo[b]carbazole-6-carbaldehyde?
The IUPAC name of 5-ethylbenzo[b]carbazole-6-carbaldehyde (CID 14770234) is 5-ethylbenzo[b]carbazole-6-carbaldehyde.
What is the SMILES notation for 5-ethylbenzo[b]carbazole-6-carbaldehyde?
The canonical SMILES for 5-ethylbenzo[b]carbazole-6-carbaldehyde is CCn1c2ccccc2c2cc3ccccc3c(C=O)c21.
What is the InChIKey of 5-ethylbenzo[b]carbazole-6-carbaldehyde?
The InChIKey is VKLBFCXQETVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-2-20-18-10-6-5-9-15(18)16-11-13-7-3-4-8-14(13)17(12-21)19(16)20/h3-12H,2H2,1H3.
What are the key properties of 5-ethylbenzo[b]carbazole-6-carbaldehyde?
5-ethylbenzo[b]carbazole-6-carbaldehyde has a molecular weight of 273.33 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylbenzo[b]carbazole-6-carbaldehyde is sourced from PubChem (CID 14770234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).