phenanthrene-9,10-dione

C14H8O2 — CID 6763

IUPACphenanthrene-9,10-dione
SMILESO=C1C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKeyYYVYAPXYZVYDHN-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.73
Rot. Bonds

About phenanthrene-9,10-dione

phenanthrene-9,10-dione (PubChem CID 6763) has the molecular formula C14H8O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is phenanthrene-9,10-dione.

Molecular Properties

Compound Namephenanthrene-9,10-dione
PubChem CID6763
Molecular FormulaC14H8O2
Molecular Weight208.22 g/mol
Exact Mass208.05
IUPAC Namephenanthrene-9,10-dione
SMILESO=C1C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKeyYYVYAPXYZVYDHN-UHFFFAOYSA-N
XLogP2.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Phylloquinone
CID 5284607
Anthraquinone
CID 6780
Vitamin K
CID 5280483
1,2-Naphthoquinone
CID 10667
Menatetrenone
CID 5282367
Anthrone
CID 7018
Chalcone
CID 637760
Dibenzoylmethane
CID 8433
Fluorenone
CID 10241

Frequently Asked Questions

What is the IUPAC name of phenanthrene-9,10-dione?
The IUPAC name of phenanthrene-9,10-dione (CID 6763) is phenanthrene-9,10-dione.
What is the SMILES notation for phenanthrene-9,10-dione?
The canonical SMILES for phenanthrene-9,10-dione is O=C1C(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of phenanthrene-9,10-dione?
The InChIKey is YYVYAPXYZVYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H.
What are the key properties of phenanthrene-9,10-dione?
phenanthrene-9,10-dione has a molecular weight of 208.22 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene-9,10-dione is sourced from PubChem (CID 6763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).