[[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium

C24H22NP2S2+ — CID 170514534

IUPAC[[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium
SMILES[S-][P+](N[P+](S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22NP2S2/c28-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-27(29,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,28H,(H,25,29)/q+1
InChIKeyVKNMUSRADMUXSY-UHFFFAOYSA-N
MW450.53 g/mol
LogP5.05
Rot. Bonds6

About [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium

[[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium (PubChem CID 170514534) has the molecular formula C24H22NP2S2+ and a molecular weight of 450.53 g/mol. Its IUPAC name is [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium.

Molecular Properties

Compound Name[[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium
PubChem CID170514534
Molecular FormulaC24H22NP2S2+
Molecular Weight450.53 g/mol
Exact Mass450.07
IUPAC Name[[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium
SMILES[S-][P+](N[P+](S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22NP2S2/c28-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-27(29,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,28H,(H,25,29)/q+1
InChIKeyVKNMUSRADMUXSY-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

palladium;triphenyl(sulfido)phosphanium
CID 172554124
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
palladium;tetraphenylphosphanium
CID 76575044
tris(1-phenylethanethiolate);yttrium(3+)
CID 173343730
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
CID 155673971
CID 155673971
(benzylamino)methyl-diphenyl-sulfidophosphanium
CID 177401305
bis(methyl(triphenyl)phosphanium) ditriiodide
CID 139175136
methyl(triphenyl)phosphanium;tetrafluoroalumanuide
CID 21264908
methyl(triphenyl)phosphanium hexafluorophosphate
CID 19831321
phenyl-[4-[phenyl(sulfanyl)methyl]phenyl]methanethiol
CID 10403885
CID 174479295
CID 174479295

Frequently Asked Questions

What is the IUPAC name of [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium?
The IUPAC name of [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium (CID 170514534) is [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium.
What is the SMILES notation for [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium?
The canonical SMILES for [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium is [S-][P+](N[P+](S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium?
The InChIKey is VKNMUSRADMUXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22NP2S2/c28-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-27(29,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,28H,(H,25,29)/q+1.
What are the key properties of [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium?
[[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium has a molecular weight of 450.53 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[diphenyl(sulfanyl)phosphaniumyl]amino]-diphenyl-sulfidophosphanium is sourced from PubChem (CID 170514534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).