2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene

C26H19OPSe — CID 155930984

IUPAC2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene
SMILESO=P([Se]c1ccccc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H19OPSe/c27-28(29-26-12-2-1-3-13-26,24-16-14-20-8-4-6-10-22(20)18-24)25-17-15-21-9-5-7-11-23(21)19-25/h1-19H
InChIKeyFZNPKTFYYWGWIG-UHFFFAOYSA-N
MW457.37 g/mol
LogP5.25
Rot. Bonds4

About 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene

2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene (PubChem CID 155930984) has the molecular formula C26H19OPSe and a molecular weight of 457.37 g/mol. Its IUPAC name is 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene.

Molecular Properties

Compound Name2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene
PubChem CID155930984
Molecular FormulaC26H19OPSe
Molecular Weight457.37 g/mol
Exact Mass458.03
IUPAC Name2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene
SMILESO=P([Se]c1ccccc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H19OPSe/c27-28(29-26-12-2-1-3-13-26,24-16-14-20-8-4-6-10-22(20)18-24)25-17-15-21-9-5-7-11-23(21)19-25/h1-19H
InChIKeyFZNPKTFYYWGWIG-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982890
naphthalen-2-yl(phenyl)phosphinic acid
CID 102162733
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
CID 122593125
methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane
CID 23421632
2-phenylselanylnaphthalene
CID 10062344
2-[methoxymethyl(phenyl)phosphoryl]naphthalene
CID 100982565
anthracene;benzene;naphthalene
CID 142706236
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[a]anthracene
CID 118672810
2-dibutylphosphorylnaphthalene
CID 102600182
2-diphenylphosphorylsulfanylnaphthalene
CID 132937680
3-diphenylphosphorylphenanthrene
CID 170944174

Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene?
The IUPAC name of 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene (CID 155930984) is 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene.
What is the SMILES notation for 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene?
The canonical SMILES for 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene is O=P([Se]c1ccccc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene?
The InChIKey is FZNPKTFYYWGWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19OPSe/c27-28(29-26-12-2-1-3-13-26,24-16-14-20-8-4-6-10-22(20)18-24)25-17-15-21-9-5-7-11-23(21)19-25/h1-19H.
What are the key properties of 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene?
2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene has a molecular weight of 457.37 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene is sourced from PubChem (CID 155930984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).