9,10-dioxoanthracene-1-diazonium

C14H7N2O2+ — CID 27658

IUPAC9,10-dioxoanthracene-1-diazonium
SMILESN#[N+]c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H7N2O2/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17/h1-7H/q+1
InChIKeyAYWYBCRYWKVVBR-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.95
Rot. Bonds

About 9,10-dioxoanthracene-1-diazonium

9,10-dioxoanthracene-1-diazonium (PubChem CID 27658) has the molecular formula C14H7N2O2+ and a molecular weight of 235.22 g/mol. Its IUPAC name is 9,10-dioxoanthracene-1-diazonium.

Molecular Properties

Compound Name9,10-dioxoanthracene-1-diazonium
PubChem CID27658
Molecular FormulaC14H7N2O2+
Molecular Weight235.22 g/mol
Exact Mass235.05
IUPAC Name9,10-dioxoanthracene-1-diazonium
SMILESN#[N+]c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H7N2O2/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17/h1-7H/q+1
InChIKeyAYWYBCRYWKVVBR-UHFFFAOYSA-N
XLogP2.95
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dioxoanthracene-1-diazonium?
The IUPAC name of 9,10-dioxoanthracene-1-diazonium (CID 27658) is 9,10-dioxoanthracene-1-diazonium.
What is the SMILES notation for 9,10-dioxoanthracene-1-diazonium?
The canonical SMILES for 9,10-dioxoanthracene-1-diazonium is N#[N+]c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10-dioxoanthracene-1-diazonium?
The InChIKey is AYWYBCRYWKVVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N2O2/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17/h1-7H/q+1.
What are the key properties of 9,10-dioxoanthracene-1-diazonium?
9,10-dioxoanthracene-1-diazonium has a molecular weight of 235.22 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxoanthracene-1-diazonium is sourced from PubChem (CID 27658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).