8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C23H15O3P — CID 623402

IUPAC8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1OC(=O)C2C1P1c3ccccc3C2(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H15O3P/c24-21-19-20(22(25)26-21)27-17-12-6-4-10-15(17)23(19,14-8-2-1-3-9-14)16-11-5-7-13-18(16)27/h1-13,19-20H
InChIKeySQTZVSJCTSDRGO-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.85
Rot. Bonds1

About 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 623402) has the molecular formula C23H15O3P and a molecular weight of 370.34 g/mol. Its IUPAC name is 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

Compound Name8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID623402
Molecular FormulaC23H15O3P
Molecular Weight370.34 g/mol
Exact Mass370.08
IUPAC Name8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1OC(=O)C2C1P1c3ccccc3C2(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H15O3P/c24-21-19-20(22(25)26-21)27-17-12-6-4-10-15(17)23(19,14-8-2-1-3-9-14)16-11-5-7-13-18(16)27/h1-13,19-20H
InChIKeySQTZVSJCTSDRGO-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(15R,19R)-1,8-dichloro-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 98229912
(1S,2S,6S,7S)-1,7-diphenyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98116514
(1S,12S,13R,17R)-1,12-diphenyl-15,18-dioxapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-2,4,6,8,10-pentaene-14,16-dione
CID 51021112
(1S,2R,6R,7S)-10,10-diphenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98509814
4-methyl-3,3-diphenyloxetan-2-one
CID 87128562
(15S,19R)-1-chloro-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 98268526
(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
CID 101368746
(1R,14R,15R,19S)-1-methoxy-17-oxapentacyclo[12.5.0.02,7.08,13.015,19]nonadeca-2,4,6,8,10,12-hexaene-16,18-dione
CID 98539226
2,2,3-triphenylcyclopentan-1-one
CID 90111687
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
1,7-diethyl-8,9-diphenyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 17132275
(3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione
CID 92644227

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The IUPAC name of 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 623402) is 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
What is the SMILES notation for 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The canonical SMILES for 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C1OC(=O)C2C1P1c3ccccc3C2(c2ccccc2)c2ccccc21.
What is the InChIKey of 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The InChIKey is SQTZVSJCTSDRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15O3P/c24-21-19-20(22(25)26-21)27-17-12-6-4-10-15(17)23(19,14-8-2-1-3-9-14)16-11-5-7-13-18(16)27/h1-13,19-20H.
What are the key properties of 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 370.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-17-oxa-1-phosphapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 623402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).