9,10-Phenanthrenedione

C14H8O2 — CID 6763

IUPACphenanthrene-9,10-dione
SMILESC1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O
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
MW208.21 g/mol
LogP2.50
Rot. Bonds

About 9,10-Phenanthrenedione

9,10-Phenanthrenedione (PubChem CID 6763) has the molecular formula C14H8O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is phenanthrene-9,10-dione.

Molecular Properties

Compound Name9,10-Phenanthrenedione
PubChem CID6763
Molecular FormulaC14H8O2
Molecular Weight208.21 g/mol
Exact Mass208.05
IUPAC Namephenanthrene-9,10-dione
SMILESC1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O
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
XLogP2.50
TPSA34.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity289

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.50
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 9,10-Phenanthrenedione?
The IUPAC name of 9,10-Phenanthrenedione (CID 6763) is phenanthrene-9,10-dione.
What is the SMILES notation for 9,10-Phenanthrenedione?
The canonical SMILES for 9,10-Phenanthrenedione is C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O.
What is the InChIKey of 9,10-Phenanthrenedione?
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 9,10-Phenanthrenedione?
9,10-Phenanthrenedione has a molecular weight of 208.21 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-Phenanthrenedione is sourced from PubChem (CID 6763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).