2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one

C23H17NO8S2 — CID 175445137

IUPAC2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one
SMILESNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H8O.C10H9NO7S2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-8H;1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyHSGBRXOCARYJNI-UHFFFAOYSA-N
MW499.52 g/mol
LogP3.52
Rot. Bonds2

About 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one

2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one (PubChem CID 175445137) has the molecular formula C23H17NO8S2 and a molecular weight of 499.52 g/mol. Its IUPAC name is 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one.

Molecular Properties

Compound Name2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one
PubChem CID175445137
Molecular FormulaC23H17NO8S2
Molecular Weight499.52 g/mol
Exact Mass499.04
IUPAC Name2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one
SMILESNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H8O.C10H9NO7S2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-8H;1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyHSGBRXOCARYJNI-UHFFFAOYSA-N
XLogP3.52
TPSA172.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one?
The IUPAC name of 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one (CID 175445137) is 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one.
What is the SMILES notation for 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one?
The canonical SMILES for 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one is Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O.O=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one?
The InChIKey is HSGBRXOCARYJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.C10H9NO7S2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-8H;1-4,12H,11H2,(H,13,14,15)(H,16,17,18).
What are the key properties of 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one?
2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one has a molecular weight of 499.52 g/mol, XLogP of 3.52, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid;fluoren-9-one is sourced from PubChem (CID 175445137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).