5,7-dioxo-1,5a-dihydrotetracene-1-diazonium

C18H11N2O2+ — CID 19927056

IUPAC5,7-dioxo-1,5a-dihydrotetracene-1-diazonium
SMILESN#[N+]C1C=CC=C2C(=O)C3C=C4C(=O)C=CC=C4C=C3C=C21
InChIInChI=1S/C18H11N2O2/c19-20-16-5-2-4-12-15(16)8-11-7-10-3-1-6-17(21)13(10)9-14(11)18(12)22/h1-9,14,16H/q+1
InChIKeyRPPUILOYZFFMGG-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.76
Rot. Bonds

About 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium

5,7-dioxo-1,5a-dihydrotetracene-1-diazonium (PubChem CID 19927056) has the molecular formula C18H11N2O2+ and a molecular weight of 287.30 g/mol. Its IUPAC name is 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium.

Molecular Properties

Compound Name5,7-dioxo-1,5a-dihydrotetracene-1-diazonium
PubChem CID19927056
Molecular FormulaC18H11N2O2+
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC Name5,7-dioxo-1,5a-dihydrotetracene-1-diazonium
SMILESN#[N+]C1C=CC=C2C(=O)C3C=C4C(=O)C=CC=C4C=C3C=C21
InChIInChI=1S/C18H11N2O2/c19-20-16-5-2-4-12-15(16)8-11-7-10-3-1-6-17(21)13(10)9-14(11)18(12)22/h1-9,14,16H/q+1
InChIKeyRPPUILOYZFFMGG-UHFFFAOYSA-N
XLogP2.76
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium?
The IUPAC name of 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium (CID 19927056) is 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium.
What is the SMILES notation for 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium?
The canonical SMILES for 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium is N#[N+]C1C=CC=C2C(=O)C3C=C4C(=O)C=CC=C4C=C3C=C21.
What is the InChIKey of 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium?
The InChIKey is RPPUILOYZFFMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N2O2/c19-20-16-5-2-4-12-15(16)8-11-7-10-3-1-6-17(21)13(10)9-14(11)18(12)22/h1-9,14,16H/q+1.
What are the key properties of 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium?
5,7-dioxo-1,5a-dihydrotetracene-1-diazonium has a molecular weight of 287.30 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxo-1,5a-dihydrotetracene-1-diazonium is sourced from PubChem (CID 19927056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).