(1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium

C28H22O2P+ — CID 2783475

IUPAC(1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium
SMILESOc1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C28H21O2P/c29-26-20-27(28(30)25-19-11-10-18-24(25)26)31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H,(H-,29,30)/p+1
InChIKeySEEQKBNCPWCWCP-UHFFFAOYSA-O
MW421.46 g/mol
LogP4.87
Rot. Bonds4

About (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium

(1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium (PubChem CID 2783475) has the molecular formula C28H22O2P+ and a molecular weight of 421.46 g/mol. Its IUPAC name is (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium
PubChem CID2783475
Molecular FormulaC28H22O2P+
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Name(1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium
SMILESOc1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C28H21O2P/c29-26-20-27(28(30)25-19-11-10-18-24(25)26)31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H,(H-,29,30)/p+1
InChIKeySEEQKBNCPWCWCP-UHFFFAOYSA-O
XLogP4.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium?
The IUPAC name of (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium (CID 2783475) is (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium.
What is the SMILES notation for (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium?
The canonical SMILES for (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium is Oc1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c2ccccc12.
What is the InChIKey of (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium?
The InChIKey is SEEQKBNCPWCWCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H21O2P/c29-26-20-27(28(30)25-19-11-10-18-24(25)26)31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H,(H-,29,30)/p+1.
What are the key properties of (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium?
(1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium has a molecular weight of 421.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dihydroxynaphthalen-2-yl)-triphenylphosphanium is sourced from PubChem (CID 2783475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).