(8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium

C15H9O2Tl — CID 134863179

IUPAC(8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium
SMILESO=C1c2ccccc2-c2ccccc2C(=O)C1[Tl]
InChIInChI=1S/C15H9O2.Tl/c16-14-9-15(17)13-8-4-2-6-11(13)10-5-1-3-7-12(10)14;/h1-9H;
InChIKeyVRMXJJWIALSHCZ-UHFFFAOYSA-N
MW425.62 g/mol
LogP2.69
Rot. Bonds

About (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium

(8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium (PubChem CID 134863179) has the molecular formula C15H9O2Tl and a molecular weight of 425.62 g/mol. Its IUPAC name is (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium.

Molecular Properties

Compound Name(8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium
PubChem CID134863179
Molecular FormulaC15H9O2Tl
Molecular Weight425.62 g/mol
Exact Mass426.03
IUPAC Name(8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium
SMILESO=C1c2ccccc2-c2ccccc2C(=O)C1[Tl]
InChIInChI=1S/C15H9O2.Tl/c16-14-9-15(17)13-8-4-2-6-11(13)10-5-1-3-7-12(10)14;/h1-9H;
InChIKeyVRMXJJWIALSHCZ-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1S,3R,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
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lithium;anthracene-9,10-dione;hydride
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Frequently Asked Questions

What is the IUPAC name of (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium?
The IUPAC name of (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium (CID 134863179) is (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium.
What is the SMILES notation for (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium?
The canonical SMILES for (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium is O=C1c2ccccc2-c2ccccc2C(=O)C1[Tl].
What is the InChIKey of (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium?
The InChIKey is VRMXJJWIALSHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9O2.Tl/c16-14-9-15(17)13-8-4-2-6-11(13)10-5-1-3-7-12(10)14;/h1-9H;.
What are the key properties of (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium?
(8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium has a molecular weight of 425.62 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium is sourced from PubChem (CID 134863179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).