1-phosphorosopyrene

C16H9OP — CID 153323865

IUPAC1-phosphorosopyrene
SMILESO=Pc1ccc2ccc3cccc4ccc1c2c34
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
InChIKeyRUDFDDHDSQRBMF-UHFFFAOYSA-N
MW248.22 g/mol
LogP4.50
Rot. Bonds1

About 1-phosphorosopyrene

1-phosphorosopyrene (PubChem CID 153323865) has the molecular formula C16H9OP and a molecular weight of 248.22 g/mol. Its IUPAC name is 1-phosphorosopyrene.

Molecular Properties

Compound Name1-phosphorosopyrene
PubChem CID153323865
Molecular FormulaC16H9OP
Molecular Weight248.22 g/mol
Exact Mass248.04
IUPAC Name1-phosphorosopyrene
SMILESO=Pc1ccc2ccc3cccc4ccc1c2c34
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
InChIKeyRUDFDDHDSQRBMF-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 54.50
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'}

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Related Compounds

trimethyl(pyren-1-yl)azanium
CID 86127738
1,8-di(pyren-1-yl)pyrene
CID 58915622
benzo[e]pyrene
CID 9128
oxo(pyren-1-yl)phosphanium
CID 154139742
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
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
CID 139077179
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosopyrene?
The IUPAC name of 1-phosphorosopyrene (CID 153323865) is 1-phosphorosopyrene.
What is the SMILES notation for 1-phosphorosopyrene?
The canonical SMILES for 1-phosphorosopyrene is O=Pc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-phosphorosopyrene?
The InChIKey is RUDFDDHDSQRBMF-UHFFFAOYSA-N. 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.
What are the key properties of 1-phosphorosopyrene?
1-phosphorosopyrene has a molecular weight of 248.22 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosopyrene is sourced from PubChem (CID 153323865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).