diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium

C36H34N4P2S2 — CID 21237917

IUPACdiphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium
SMILESS=P([S-])(c1ccccc1)c1ccccc1.c1ccc(N[P+](Nc2ccccc2)(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C24H24N4P.C12H11PS2/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24;14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-20,25-28H;1-10H,(H,14,15)/q+1;/p-1
InChIKeyHLECQPBRRSQOQK-UHFFFAOYSA-M
MW648.78 g/mol
LogP9.69
Rot. Bonds10

About diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium

diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium (PubChem CID 21237917) has the molecular formula C36H34N4P2S2 and a molecular weight of 648.78 g/mol. Its IUPAC name is diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium.

Molecular Properties

Compound Namediphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium
PubChem CID21237917
Molecular FormulaC36H34N4P2S2
Molecular Weight648.78 g/mol
Exact Mass648.17
IUPAC Namediphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium
SMILESS=P([S-])(c1ccccc1)c1ccccc1.c1ccc(N[P+](Nc2ccccc2)(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C24H24N4P.C12H11PS2/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24;14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-20,25-28H;1-10H,(H,14,15)/q+1;/p-1
InChIKeyHLECQPBRRSQOQK-UHFFFAOYSA-M
XLogP9.69
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.78
LogP ≤ 59.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium?
The IUPAC name of diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium (CID 21237917) is diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium.
What is the SMILES notation for diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium?
The canonical SMILES for diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium is S=P([S-])(c1ccccc1)c1ccccc1.c1ccc(N[P+](Nc2ccccc2)(Nc2ccccc2)Nc2ccccc2)cc1.
What is the InChIKey of diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium?
The InChIKey is HLECQPBRRSQOQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24N4P.C12H11PS2/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24;14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-20,25-28H;1-10H,(H,14,15)/q+1;/p-1.
What are the key properties of diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium?
diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium has a molecular weight of 648.78 g/mol, XLogP of 9.69, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium is sourced from PubChem (CID 21237917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).