3-diazo-4H-anthracene-1,2-dione

C14H8N2O2 — CID 57165705

IUPAC3-diazo-4H-anthracene-1,2-dione
SMILES[N-]=[N+]=C1Cc2cc3ccccc3cc2C(=O)C1=O
InChIInChI=1S/C14H8N2O2/c15-16-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(17)14(12)18/h1-6H,7H2
InChIKeyWEWHKSPNWOEYRA-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.82
Rot. Bonds

About 3-diazo-4H-anthracene-1,2-dione

3-diazo-4H-anthracene-1,2-dione (PubChem CID 57165705) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-diazo-4H-anthracene-1,2-dione.

Molecular Properties

Compound Name3-diazo-4H-anthracene-1,2-dione
PubChem CID57165705
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name3-diazo-4H-anthracene-1,2-dione
SMILES[N-]=[N+]=C1Cc2cc3ccccc3cc2C(=O)C1=O
InChIInChI=1S/C14H8N2O2/c15-16-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(17)14(12)18/h1-6H,7H2
InChIKeyWEWHKSPNWOEYRA-UHFFFAOYSA-N
XLogP1.82
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2,3-Dihydro-1H-phenalen-1-one
CID 602781
Methanone, 2-naphthalenylphenyl-
CID 69516
3,4-Phenanthrenequinone
CID 97313
2,3-Dihydro-1H-phenanthren-4-one
CID 240461
Thr1 inhibitor, 1
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1-(2-Naphthyl)-3-phenylprop-2-en-1-one
CID 5355551
1-Oxo-1,2,3,4-tetrahydrophenanthrene
CID 225683
1-(2-Naphthalenyl)-2-phenylethanone
CID 2749464
10-Iminophenanthren-9-one
CID 283892

Frequently Asked Questions

What is the IUPAC name of 3-diazo-4H-anthracene-1,2-dione?
The IUPAC name of 3-diazo-4H-anthracene-1,2-dione (CID 57165705) is 3-diazo-4H-anthracene-1,2-dione.
What is the SMILES notation for 3-diazo-4H-anthracene-1,2-dione?
The canonical SMILES for 3-diazo-4H-anthracene-1,2-dione is [N-]=[N+]=C1Cc2cc3ccccc3cc2C(=O)C1=O.
What is the InChIKey of 3-diazo-4H-anthracene-1,2-dione?
The InChIKey is WEWHKSPNWOEYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c15-16-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(17)14(12)18/h1-6H,7H2.
What are the key properties of 3-diazo-4H-anthracene-1,2-dione?
3-diazo-4H-anthracene-1,2-dione has a molecular weight of 236.23 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-4H-anthracene-1,2-dione is sourced from PubChem (CID 57165705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).