2,7-diaminoanthracene-9,10-dione

C14H10N2O2 — CID 11798

IUPAC2,7-diaminoanthracene-9,10-dione
SMILESNc1ccc2c(c1)C(=O)c1cc(N)ccc1C2=O
InChIInChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)12-6-8(16)2-4-10(12)13(9)17/h1-6H,15-16H2
InChIKeyKJNHYKBXQOSFJR-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.63
Rot. Bonds

About 2,7-diaminoanthracene-9,10-dione

2,7-diaminoanthracene-9,10-dione (PubChem CID 11798) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,7-diaminoanthracene-9,10-dione.

Molecular Properties

Compound Name2,7-diaminoanthracene-9,10-dione
PubChem CID11798
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2,7-diaminoanthracene-9,10-dione
SMILESNc1ccc2c(c1)C(=O)c1cc(N)ccc1C2=O
InChIInChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)12-6-8(16)2-4-10(12)13(9)17/h1-6H,15-16H2
InChIKeyKJNHYKBXQOSFJR-UHFFFAOYSA-N
XLogP1.63
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Aminoanthraquinone
CID 8341
Disperse Blue 1
CID 17190
Disperse Violet 1
CID 31420
1-Amino-2-methylanthraquinone
CID 6702
1-Aminoanthraquinone
CID 6710
1,5-Diaminoanthraquinone
CID 8513
2,6-Diaminoanthraquinone
CID 8557
1,2-Diaminoanthraquinone
CID 15652
N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
CID 570342
4-Aminobenzophenone
CID 14346
Pigment Red 177
CID 77669
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
CID 577464

Frequently Asked Questions

What is the IUPAC name of 2,7-diaminoanthracene-9,10-dione?
The IUPAC name of 2,7-diaminoanthracene-9,10-dione (CID 11798) is 2,7-diaminoanthracene-9,10-dione.
What is the SMILES notation for 2,7-diaminoanthracene-9,10-dione?
The canonical SMILES for 2,7-diaminoanthracene-9,10-dione is Nc1ccc2c(c1)C(=O)c1cc(N)ccc1C2=O.
What is the InChIKey of 2,7-diaminoanthracene-9,10-dione?
The InChIKey is KJNHYKBXQOSFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)12-6-8(16)2-4-10(12)13(9)17/h1-6H,15-16H2.
What are the key properties of 2,7-diaminoanthracene-9,10-dione?
2,7-diaminoanthracene-9,10-dione has a molecular weight of 238.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diaminoanthracene-9,10-dione is sourced from PubChem (CID 11798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).