4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde

C23H15NOS — CID 139165091

IUPAC4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cs1
InChIInChI=1S/C23H15NOS/c25-14-19-12-17(15-26-19)16-10-11-23-21(13-16)20-8-4-5-9-22(20)24(23)18-6-2-1-3-7-18/h1-15H
InChIKeyRZVMMKPZEAXYTL-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.32
Rot. Bonds3

About 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde

4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde (PubChem CID 139165091) has the molecular formula C23H15NOS and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde
PubChem CID139165091
Molecular FormulaC23H15NOS
Molecular Weight353.45 g/mol
Exact Mass353.09
IUPAC Name4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cs1
InChIInChI=1S/C23H15NOS/c25-14-19-12-17(15-26-19)16-10-11-23-21(13-16)20-8-4-5-9-22(20)24(23)18-6-2-1-3-7-18/h1-15H
InChIKeyRZVMMKPZEAXYTL-UHFFFAOYSA-N
XLogP6.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.32
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 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde?
The IUPAC name of 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde (CID 139165091) is 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde is O=Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cs1.
What is the InChIKey of 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde?
The InChIKey is RZVMMKPZEAXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NOS/c25-14-19-12-17(15-26-19)16-10-11-23-21(13-16)20-8-4-5-9-22(20)24(23)18-6-2-1-3-7-18/h1-15H.
What are the key properties of 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde?
4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde has a molecular weight of 353.45 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 139165091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).