[chloro-(4-phenylphenyl)methylidene]oxidanium

C13H10ClO+ — CID 143439036

IUPAC[chloro-(4-phenylphenyl)methylidene]oxidanium
SMILES[H]/[O+]=C(\Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H/p+1
InChIKeyJPVUWCPKMYXOKW-UHFFFAOYSA-O
MW217.68 g/mol
LogP3.44
Rot. Bonds2

About [chloro-(4-phenylphenyl)methylidene]oxidanium

[chloro-(4-phenylphenyl)methylidene]oxidanium (PubChem CID 143439036) has the molecular formula C13H10ClO+ and a molecular weight of 217.68 g/mol. Its IUPAC name is [chloro-(4-phenylphenyl)methylidene]oxidanium.

Molecular Properties

Compound Name[chloro-(4-phenylphenyl)methylidene]oxidanium
PubChem CID143439036
Molecular FormulaC13H10ClO+
Molecular Weight217.68 g/mol
Exact Mass217.04
IUPAC Name[chloro-(4-phenylphenyl)methylidene]oxidanium
SMILES[H]/[O+]=C(\Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H/p+1
InChIKeyJPVUWCPKMYXOKW-UHFFFAOYSA-O
XLogP3.44
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [chloro-(4-phenylphenyl)methylidene]oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[chloro(phenyl)methylidene]oxidanium
CID 134973478
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-(4-phenylphenyl)ethenol
CID 89336300
2-(4-phenylphenyl)prop-2-enoyl chloride
CID 87645209
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;tris(1,1'-biphenyl)
CID 162155747
phenyl-(4-phenylphenyl)methanone
CID 155775877
4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
(4-phenylbenzoyl)oxidanium
CID 148658843
1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
CID 73056693
1-(1-bromoethenyl)-4-phenylbenzene
CID 14972758

Frequently Asked Questions

What is the IUPAC name of [chloro-(4-phenylphenyl)methylidene]oxidanium?
The IUPAC name of [chloro-(4-phenylphenyl)methylidene]oxidanium (CID 143439036) is [chloro-(4-phenylphenyl)methylidene]oxidanium.
What is the SMILES notation for [chloro-(4-phenylphenyl)methylidene]oxidanium?
The canonical SMILES for [chloro-(4-phenylphenyl)methylidene]oxidanium is [H]/[O+]=C(\Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [chloro-(4-phenylphenyl)methylidene]oxidanium?
The InChIKey is JPVUWCPKMYXOKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H/p+1.
What are the key properties of [chloro-(4-phenylphenyl)methylidene]oxidanium?
[chloro-(4-phenylphenyl)methylidene]oxidanium has a molecular weight of 217.68 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(4-phenylphenyl)methylidene]oxidanium is sourced from PubChem (CID 143439036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).