5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde

C19H15NOS — CID 138756447

IUPAC5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde
SMILESCCn1c2ccccc2c2cc(-c3ccc(C=O)s3)ccc21
InChIInChI=1S/C19H15NOS/c1-2-20-17-6-4-3-5-15(17)16-11-13(7-9-18(16)20)19-10-8-14(12-21)22-19/h3-12H,2H2,1H3
InChIKeyJNCCGSMXWIVELK-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.36
Rot. Bonds3

About 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde

5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde (PubChem CID 138756447) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde
PubChem CID138756447
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde
SMILESCCn1c2ccccc2c2cc(-c3ccc(C=O)s3)ccc21
InChIInChI=1S/C19H15NOS/c1-2-20-17-6-4-3-5-15(17)16-11-13(7-9-18(16)20)19-10-8-14(12-21)22-19/h3-12H,2H2,1H3
InChIKeyJNCCGSMXWIVELK-UHFFFAOYSA-N
XLogP5.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde (CID 138756447) is 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde is CCn1c2ccccc2c2cc(-c3ccc(C=O)s3)ccc21.
What is the InChIKey of 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde?
The InChIKey is JNCCGSMXWIVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c1-2-20-17-6-4-3-5-15(17)16-11-13(7-9-18(16)20)19-10-8-14(12-21)22-19/h3-12H,2H2,1H3.
What are the key properties of 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde?
5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde has a molecular weight of 305.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-ethylcarbazol-3-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 138756447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).