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

C23H15NOS — CID 139165092

IUPAC5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)s1
InChIInChI=1S/C23H15NOS/c25-15-18-11-13-23(26-18)16-10-12-22-20(14-16)19-8-4-5-9-21(19)24(22)17-6-2-1-3-7-17/h1-15H
InChIKeyKQTPWHCAHGNCBV-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.32
Rot. Bonds3

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

5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde (PubChem CID 139165092) has the molecular formula C23H15NOS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde
PubChem CID139165092
Molecular FormulaC23H15NOS
Molecular Weight353.45 g/mol
Exact Mass353.09
IUPAC Name5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)s1
InChIInChI=1S/C23H15NOS/c25-15-18-11-13-23(26-18)16-10-12-22-20(14-16)19-8-4-5-9-21(19)24(22)17-6-2-1-3-7-17/h1-15H
InChIKeyKQTPWHCAHGNCBV-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 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde (CID 139165092) is 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)s1.
What is the InChIKey of 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde?
The InChIKey is KQTPWHCAHGNCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NOS/c25-15-18-11-13-23(26-18)16-10-12-22-20(14-16)19-8-4-5-9-21(19)24(22)17-6-2-1-3-7-17/h1-15H.
What are the key properties of 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde?
5-(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 5-(9-phenylcarbazol-3-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 139165092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).