(2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane

C27H26NP2S+ — CID 23421374

IUPAC(2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)N1CCC[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NP2S/c31-30(26-18-9-3-10-19-26,27-20-11-4-12-21-27)28-22-13-23-29(28,24-14-5-1-6-15-24)25-16-7-2-8-17-25/h1-12,14-21H,13,22-23H2/q+1
InChIKeyCXUKUPQFSFYSEU-UHFFFAOYSA-N
MW458.53 g/mol
LogP5.32
Rot. Bonds5

About (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane

(2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 23421374) has the molecular formula C27H26NP2S+ and a molecular weight of 458.53 g/mol. Its IUPAC name is (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID23421374
Molecular FormulaC27H26NP2S+
Molecular Weight458.53 g/mol
Exact Mass458.13
IUPAC Name(2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)N1CCC[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NP2S/c31-30(26-18-9-3-10-19-26,27-20-11-4-12-21-27)28-22-13-23-29(28,24-14-5-1-6-15-24)25-16-7-2-8-17-25/h1-12,14-21H,13,22-23H2/q+1
InChIKeyCXUKUPQFSFYSEU-UHFFFAOYSA-N
XLogP5.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane (CID 23421374) is (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)N1CCC[P+]1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is CXUKUPQFSFYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26NP2S/c31-30(26-18-9-3-10-19-26,27-20-11-4-12-21-27)28-22-13-23-29(28,24-14-5-1-6-15-24)25-16-7-2-8-17-25/h1-12,14-21H,13,22-23H2/q+1.
What are the key properties of (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane?
(2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 458.53 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenylazaphospholidin-2-ium-1-yl)-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23421374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).