4,8-didiazoanthracene-1,5,9,10-tetrone

C14H4N4O4 — CID 135082525

IUPAC4,8-didiazoanthracene-1,5,9,10-tetrone
SMILES[N-]=[N+]=c1ccc(=O)c2c(=O)c3c(=[N+]=[N-])ccc(=O)c3c(=O)c12
InChIInChI=1S/C14H4N4O4/c15-17-5-1-3-7(19)11-9(5)13(21)12-8(20)4-2-6(18-16)10(12)14(11)22/h1-4H
InChIKeyYOCJPYGUCNLPTQ-UHFFFAOYSA-N
MW292.21 g/mol
LogP-1.99
Rot. Bonds

About 4,8-didiazoanthracene-1,5,9,10-tetrone

4,8-didiazoanthracene-1,5,9,10-tetrone (PubChem CID 135082525) has the molecular formula C14H4N4O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 4,8-didiazoanthracene-1,5,9,10-tetrone.

Molecular Properties

Compound Name4,8-didiazoanthracene-1,5,9,10-tetrone
PubChem CID135082525
Molecular FormulaC14H4N4O4
Molecular Weight292.21 g/mol
Exact Mass292.02
IUPAC Name4,8-didiazoanthracene-1,5,9,10-tetrone
SMILES[N-]=[N+]=c1ccc(=O)c2c(=O)c3c(=[N+]=[N-])ccc(=O)c3c(=O)c12
InChIInChI=1S/C14H4N4O4/c15-17-5-1-3-7(19)11-9(5)13(21)12-8(20)4-2-6(18-16)10(12)14(11)22/h1-4H
InChIKeyYOCJPYGUCNLPTQ-UHFFFAOYSA-N
XLogP-1.99
TPSA141.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 5-1.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-diazo-6H-naphthalene-1,4-dione
CID 23202654
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
5-diazo-3H-naphthalene-1,2-dione
CID 141053386
3-Diazo-4,5-dihydroanthracene-1,9-dione
CID 173285901

Frequently Asked Questions

What is the IUPAC name of 4,8-didiazoanthracene-1,5,9,10-tetrone?
The IUPAC name of 4,8-didiazoanthracene-1,5,9,10-tetrone (CID 135082525) is 4,8-didiazoanthracene-1,5,9,10-tetrone.
What is the SMILES notation for 4,8-didiazoanthracene-1,5,9,10-tetrone?
The canonical SMILES for 4,8-didiazoanthracene-1,5,9,10-tetrone is [N-]=[N+]=c1ccc(=O)c2c(=O)c3c(=[N+]=[N-])ccc(=O)c3c(=O)c12.
What is the InChIKey of 4,8-didiazoanthracene-1,5,9,10-tetrone?
The InChIKey is YOCJPYGUCNLPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4N4O4/c15-17-5-1-3-7(19)11-9(5)13(21)12-8(20)4-2-6(18-16)10(12)14(11)22/h1-4H.
What are the key properties of 4,8-didiazoanthracene-1,5,9,10-tetrone?
4,8-didiazoanthracene-1,5,9,10-tetrone has a molecular weight of 292.21 g/mol, XLogP of -1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-didiazoanthracene-1,5,9,10-tetrone is sourced from PubChem (CID 135082525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).