5,8-diamino-2,3-dihydroanthracene-9,10-dione

C14H12N2O2 — CID 147843151

IUPAC5,8-diamino-2,3-dihydroanthracene-9,10-dione
SMILESNc1ccc(N)c2c1C(=O)C1=CCCC=C1C2=O
InChIInChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h3-6H,1-2,15-16H2
InChIKeyHTJFIIVVPXRQGJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.88
Rot. Bonds

About 5,8-diamino-2,3-dihydroanthracene-9,10-dione

5,8-diamino-2,3-dihydroanthracene-9,10-dione (PubChem CID 147843151) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5,8-diamino-2,3-dihydroanthracene-9,10-dione.

Molecular Properties

Compound Name5,8-diamino-2,3-dihydroanthracene-9,10-dione
PubChem CID147843151
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5,8-diamino-2,3-dihydroanthracene-9,10-dione
SMILESNc1ccc(N)c2c1C(=O)C1=CCCC=C1C2=O
InChIInChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h3-6H,1-2,15-16H2
InChIKeyHTJFIIVVPXRQGJ-UHFFFAOYSA-N
XLogP1.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-diamino-2,3-dihydroanthracene-9,10-dione?
The IUPAC name of 5,8-diamino-2,3-dihydroanthracene-9,10-dione (CID 147843151) is 5,8-diamino-2,3-dihydroanthracene-9,10-dione.
What is the SMILES notation for 5,8-diamino-2,3-dihydroanthracene-9,10-dione?
The canonical SMILES for 5,8-diamino-2,3-dihydroanthracene-9,10-dione is Nc1ccc(N)c2c1C(=O)C1=CCCC=C1C2=O.
What is the InChIKey of 5,8-diamino-2,3-dihydroanthracene-9,10-dione?
The InChIKey is HTJFIIVVPXRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h3-6H,1-2,15-16H2.
What are the key properties of 5,8-diamino-2,3-dihydroanthracene-9,10-dione?
5,8-diamino-2,3-dihydroanthracene-9,10-dione has a molecular weight of 240.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diamino-2,3-dihydroanthracene-9,10-dione is sourced from PubChem (CID 147843151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).