(2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane

C33H24NPS — CID 132574437

IUPAC(2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C33H24NPS/c36-35(27-18-9-3-10-19-27,28-20-11-4-12-21-28)32-23-13-22-29-30(25-14-5-1-6-15-25)24-31(34-33(29)32)26-16-7-2-8-17-26/h1-24H
InChIKeyKWCGADAYOHYYAS-UHFFFAOYSA-N
MW497.60 g/mol
LogP7.32
Rot. Bonds5

About (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane

(2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 132574437) has the molecular formula C33H24NPS and a molecular weight of 497.60 g/mol. Its IUPAC name is (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID132574437
Molecular FormulaC33H24NPS
Molecular Weight497.60 g/mol
Exact Mass497.14
IUPAC Name(2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C33H24NPS/c36-35(27-18-9-3-10-19-27,28-20-11-4-12-21-28)32-23-13-22-29-30(25-14-5-1-6-15-25)24-31(34-33(29)32)26-16-7-2-8-17-26/h1-24H
InChIKeyKWCGADAYOHYYAS-UHFFFAOYSA-N
XLogP7.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane (CID 132574437) is (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is KWCGADAYOHYYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24NPS/c36-35(27-18-9-3-10-19-27,28-20-11-4-12-21-28)32-23-13-22-29-30(25-14-5-1-6-15-25)24-31(34-33(29)32)26-16-7-2-8-17-26/h1-24H.
What are the key properties of (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane?
(2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 497.60 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenylquinolin-8-yl)-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 132574437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).