(4-methylphenyl)-phenyl-selanylidenephosphanium

C13H12PSe+ — CID 58607713

IUPAC(4-methylphenyl)-phenyl-selanylidenephosphanium
SMILESCc1ccc([P+](=[Se])c2ccccc2)cc1
InChIInChI=1S/C13H12PSe/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3/q+1
InChIKeyDOYSFBDNKRANCY-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.51
Rot. Bonds2

About (4-methylphenyl)-phenyl-selanylidenephosphanium

(4-methylphenyl)-phenyl-selanylidenephosphanium (PubChem CID 58607713) has the molecular formula C13H12PSe+ and a molecular weight of 278.17 g/mol. Its IUPAC name is (4-methylphenyl)-phenyl-selanylidenephosphanium.

Molecular Properties

Compound Name(4-methylphenyl)-phenyl-selanylidenephosphanium
PubChem CID58607713
Molecular FormulaC13H12PSe+
Molecular Weight278.17 g/mol
Exact Mass278.98
IUPAC Name(4-methylphenyl)-phenyl-selanylidenephosphanium
SMILESCc1ccc([P+](=[Se])c2ccccc2)cc1
InChIInChI=1S/C13H12PSe/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3/q+1
InChIKeyDOYSFBDNKRANCY-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159472747
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toluene;dihydrochloride
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ethane;toluene
CID 91350799
toluene;hydrate
CID 22272177
iridium;toluene
CID 160574470
toluene;tetrahydrochloride
CID 174345064
gold;toluene
CID 159315944
bismuthane;toluene
CID 173370039

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-phenyl-selanylidenephosphanium?
The IUPAC name of (4-methylphenyl)-phenyl-selanylidenephosphanium (CID 58607713) is (4-methylphenyl)-phenyl-selanylidenephosphanium.
What is the SMILES notation for (4-methylphenyl)-phenyl-selanylidenephosphanium?
The canonical SMILES for (4-methylphenyl)-phenyl-selanylidenephosphanium is Cc1ccc([P+](=[Se])c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-phenyl-selanylidenephosphanium?
The InChIKey is DOYSFBDNKRANCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12PSe/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3/q+1.
What are the key properties of (4-methylphenyl)-phenyl-selanylidenephosphanium?
(4-methylphenyl)-phenyl-selanylidenephosphanium has a molecular weight of 278.17 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-phenyl-selanylidenephosphanium is sourced from PubChem (CID 58607713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).