10-diazonioanthracen-9-olate

C14H8N2O — CID 4290314

IUPAC10-diazonioanthracen-9-olate
SMILESN#[N+]c1c2ccccc2c([O-])c2ccccc12
InChIInChI=1S/C14H8N2O/c15-16-13-9-5-1-3-7-11(9)14(17)12-8-4-2-6-10(12)13/h1-8H
InChIKeyZAMUDYFFFFHBNY-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.55
Rot. Bonds

About 10-diazonioanthracen-9-olate

10-diazonioanthracen-9-olate (PubChem CID 4290314) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is 10-diazonioanthracen-9-olate.

Molecular Properties

Compound Name10-diazonioanthracen-9-olate
PubChem CID4290314
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name10-diazonioanthracen-9-olate
SMILESN#[N+]c1c2ccccc2c([O-])c2ccccc12
InChIInChI=1S/C14H8N2O/c15-16-13-9-5-1-3-7-11(9)14(17)12-8-4-2-6-10(12)13/h1-8H
InChIKeyZAMUDYFFFFHBNY-UHFFFAOYSA-N
XLogP3.55
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-diazonioanthracen-9-olate?
The IUPAC name of 10-diazonioanthracen-9-olate (CID 4290314) is 10-diazonioanthracen-9-olate.
What is the SMILES notation for 10-diazonioanthracen-9-olate?
The canonical SMILES for 10-diazonioanthracen-9-olate is N#[N+]c1c2ccccc2c([O-])c2ccccc12.
What is the InChIKey of 10-diazonioanthracen-9-olate?
The InChIKey is ZAMUDYFFFFHBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c15-16-13-9-5-1-3-7-11(9)14(17)12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 10-diazonioanthracen-9-olate?
10-diazonioanthracen-9-olate has a molecular weight of 220.23 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-diazonioanthracen-9-olate is sourced from PubChem (CID 4290314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).