diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium

C30H25NPS+ — CID 5257507

IUPACdiphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium
SMILESc1ccc([S+](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H25NPS/c1-6-16-26(17-7-1)32(27-18-8-2-9-19-27,28-20-10-3-11-21-28)31-33(29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H/q+1
InChIKeyDDXWCNXQMQMWBE-UHFFFAOYSA-N
MW462.58 g/mol
LogP6.82
Rot. Bonds6

About diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium

diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium (PubChem CID 5257507) has the molecular formula C30H25NPS+ and a molecular weight of 462.58 g/mol. Its IUPAC name is diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium.

Molecular Properties

Compound Namediphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium
PubChem CID5257507
Molecular FormulaC30H25NPS+
Molecular Weight462.58 g/mol
Exact Mass462.14
IUPAC Namediphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium
SMILESc1ccc([S+](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H25NPS/c1-6-16-26(17-7-1)32(27-18-8-2-9-19-27,28-20-10-3-11-21-28)31-33(29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H/q+1
InChIKeyDDXWCNXQMQMWBE-UHFFFAOYSA-N
XLogP6.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium?
The IUPAC name of diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium (CID 5257507) is diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium.
What is the SMILES notation for diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium?
The canonical SMILES for diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium is c1ccc([S+](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium?
The InChIKey is DDXWCNXQMQMWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NPS/c1-6-16-26(17-7-1)32(27-18-8-2-9-19-27,28-20-10-3-11-21-28)31-33(29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25H/q+1.
What are the key properties of diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium?
diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium has a molecular weight of 462.58 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium is sourced from PubChem (CID 5257507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).