6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol

C20H16N2O5 — CID 170850509

IUPAC6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol
SMILESNc1c(N)c(O)c2c(O)c3c(O)c(O)ccc3cc2c1-c1ccccc1O
InChIInChI=1S/C20H16N2O5/c21-16-14(9-3-1-2-4-11(9)23)10-7-8-5-6-12(24)18(25)13(8)19(26)15(10)20(27)17(16)22/h1-7,23-27H,21-22H2
InChIKeyAZZPATLGWXHZJI-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.35
Rot. Bonds1

About 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol

6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol (PubChem CID 170850509) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol.

Molecular Properties

Compound Name6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol
PubChem CID170850509
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol
SMILESNc1c(N)c(O)c2c(O)c3c(O)c(O)ccc3cc2c1-c1ccccc1O
InChIInChI=1S/C20H16N2O5/c21-16-14(9-3-1-2-4-11(9)23)10-7-8-5-6-12(24)18(25)13(8)19(26)15(10)20(27)17(16)22/h1-7,23-27H,21-22H2
InChIKeyAZZPATLGWXHZJI-UHFFFAOYSA-N
XLogP3.35
TPSA153.19 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.36
LogP ≤ 53.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol?
The IUPAC name of 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol (CID 170850509) is 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol.
What is the SMILES notation for 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol?
The canonical SMILES for 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol is Nc1c(N)c(O)c2c(O)c3c(O)c(O)ccc3cc2c1-c1ccccc1O.
What is the InChIKey of 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol?
The InChIKey is AZZPATLGWXHZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c21-16-14(9-3-1-2-4-11(9)23)10-7-8-5-6-12(24)18(25)13(8)19(26)15(10)20(27)17(16)22/h1-7,23-27H,21-22H2.
What are the key properties of 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol?
6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol has a molecular weight of 364.36 g/mol, XLogP of 3.35, 1 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diamino-5-(2-hydroxyphenyl)anthracene-1,2,8,9-tetrol is sourced from PubChem (CID 170850509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).