(4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane

C24H19O2PS2 — CID 149316503

IUPAC(4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane
SMILESS=P1(Oc2ccc3ccccc3c2)O[C@H](c2ccccc2)[C@H](c2ccccc2)S1
InChIInChI=1S/C24H19O2PS2/c28-27(25-22-16-15-18-9-7-8-14-21(18)17-22)26-23(19-10-3-1-4-11-19)24(29-27)20-12-5-2-6-13-20/h1-17,23-24H/t23-,24+,27?/m1/s1
InChIKeyXZPRHCJLHCWWKW-AVPLEESXSA-N
MW434.52 g/mol
LogP7.69
Rot. Bonds4

About (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane

(4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane (PubChem CID 149316503) has the molecular formula C24H19O2PS2 and a molecular weight of 434.52 g/mol. Its IUPAC name is (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane.

Molecular Properties

Compound Name(4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane
PubChem CID149316503
Molecular FormulaC24H19O2PS2
Molecular Weight434.52 g/mol
Exact Mass434.06
IUPAC Name(4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane
SMILESS=P1(Oc2ccc3ccccc3c2)O[C@H](c2ccccc2)[C@H](c2ccccc2)S1
InChIInChI=1S/C24H19O2PS2/c28-27(25-22-16-15-18-9-7-8-14-21(18)17-22)26-23(19-10-3-1-4-11-19)24(29-27)20-12-5-2-6-13-20/h1-17,23-24H/t23-,24+,27?/m1/s1
InChIKeyXZPRHCJLHCWWKW-AVPLEESXSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane?
The IUPAC name of (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane (CID 149316503) is (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane.
What is the SMILES notation for (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane?
The canonical SMILES for (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane is S=P1(Oc2ccc3ccccc3c2)O[C@H](c2ccccc2)[C@H](c2ccccc2)S1.
What is the InChIKey of (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane?
The InChIKey is XZPRHCJLHCWWKW-AVPLEESXSA-N. The full InChI is InChI=1S/C24H19O2PS2/c28-27(25-22-16-15-18-9-7-8-14-21(18)17-22)26-23(19-10-3-1-4-11-19)24(29-27)20-12-5-2-6-13-20/h1-17,23-24H/t23-,24+,27?/m1/s1.
What are the key properties of (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane?
(4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane has a molecular weight of 434.52 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-naphthalen-2-yloxy-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholane is sourced from PubChem (CID 149316503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).