1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione

C14H6Cl4N2O2 — CID 13162759

IUPAC1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione
SMILESNc1c(Cl)cc(Cl)c2c1C(=O)c1c(Cl)cc(Cl)c(N)c1C2=O
InChIInChI=1S/C14H6Cl4N2O2/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2H,19-20H2
InChIKeyLBZKZHPJFBLXLS-UHFFFAOYSA-N
MW376.03 g/mol
LogP4.24
Rot. Bonds

About 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione

1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione (PubChem CID 13162759) has the molecular formula C14H6Cl4N2O2 and a molecular weight of 376.03 g/mol. Its IUPAC name is 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione.

Molecular Properties

Compound Name1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione
PubChem CID13162759
Molecular FormulaC14H6Cl4N2O2
Molecular Weight376.03 g/mol
Exact Mass373.92
IUPAC Name1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione
SMILESNc1c(Cl)cc(Cl)c2c1C(=O)c1c(Cl)cc(Cl)c(N)c1C2=O
InChIInChI=1S/C14H6Cl4N2O2/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2H,19-20H2
InChIKeyLBZKZHPJFBLXLS-UHFFFAOYSA-N
XLogP4.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.03
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione?
The IUPAC name of 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione (CID 13162759) is 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione.
What is the SMILES notation for 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione?
The canonical SMILES for 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione is Nc1c(Cl)cc(Cl)c2c1C(=O)c1c(Cl)cc(Cl)c(N)c1C2=O.
What is the InChIKey of 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione?
The InChIKey is LBZKZHPJFBLXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4N2O2/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2H,19-20H2.
What are the key properties of 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione?
1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione has a molecular weight of 376.03 g/mol, XLogP of 4.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione is sourced from PubChem (CID 13162759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).