oxo(pyren-1-yl)phosphanium

C16H10OP+ — CID 154139742

IUPACoxo(pyren-1-yl)phosphanium
SMILESO=[PH+]c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C16H9OP/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H/p+1
InChIKeyRUDFDDHDSQRBMF-UHFFFAOYSA-O
MW249.23 g/mol
LogP4.23
Rot. Bonds1

About oxo(pyren-1-yl)phosphanium

oxo(pyren-1-yl)phosphanium (PubChem CID 154139742) has the molecular formula C16H10OP+ and a molecular weight of 249.23 g/mol. Its IUPAC name is oxo(pyren-1-yl)phosphanium.

Molecular Properties

Compound Nameoxo(pyren-1-yl)phosphanium
PubChem CID154139742
Molecular FormulaC16H10OP+
Molecular Weight249.23 g/mol
Exact Mass249.05
IUPAC Nameoxo(pyren-1-yl)phosphanium
SMILESO=[PH+]c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C16H9OP/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H/p+1
InChIKeyRUDFDDHDSQRBMF-UHFFFAOYSA-O
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze oxo(pyren-1-yl)phosphanium 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

1,8-di(pyren-1-yl)pyrene
CID 58915622
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
CID 21087978
pyren-1-amine
CID 15352
1-phosphorosopyrene
CID 153323865
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
CID 139077179
1-ethylpyrene;methane
CID 142201759
1-ethylpyrene;propane
CID 144711239
benzo[e]pyrene
CID 9128
pyrene-1-carbonyl bromide
CID 175286492

Frequently Asked Questions

What is the IUPAC name of oxo(pyren-1-yl)phosphanium?
The IUPAC name of oxo(pyren-1-yl)phosphanium (CID 154139742) is oxo(pyren-1-yl)phosphanium.
What is the SMILES notation for oxo(pyren-1-yl)phosphanium?
The canonical SMILES for oxo(pyren-1-yl)phosphanium is O=[PH+]c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of oxo(pyren-1-yl)phosphanium?
The InChIKey is RUDFDDHDSQRBMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H9OP/c17-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H/p+1.
What are the key properties of oxo(pyren-1-yl)phosphanium?
oxo(pyren-1-yl)phosphanium has a molecular weight of 249.23 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(pyren-1-yl)phosphanium is sourced from PubChem (CID 154139742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).