3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde

C23H18NOPS — CID 18404100

IUPAC3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde
SMILESO=Cc1sccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18NOPS/c25-18-23-22(16-17-27-23)24-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyVQVVVURNCJOINF-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.37
Rot. Bonds5

About 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde

3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde (PubChem CID 18404100) has the molecular formula C23H18NOPS and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde
PubChem CID18404100
Molecular FormulaC23H18NOPS
Molecular Weight387.44 g/mol
Exact Mass387.08
IUPAC Name3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde
SMILESO=Cc1sccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18NOPS/c25-18-23-22(16-17-27-23)24-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyVQVVVURNCJOINF-UHFFFAOYSA-N
XLogP5.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde?
The IUPAC name of 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde (CID 18404100) is 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde.
What is the SMILES notation for 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde?
The canonical SMILES for 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde is O=Cc1sccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde?
The InChIKey is VQVVVURNCJOINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18NOPS/c25-18-23-22(16-17-27-23)24-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde?
3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde has a molecular weight of 387.44 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde is sourced from PubChem (CID 18404100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).