disodium;hydride;perylene-3,10-disulfonic acid

C20H14Na2O6S2 — CID 173363289

IUPACdisodium;hydride;perylene-3,10-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c3ccc(S(=O)(=O)O)c4cccc(c5cccc1c52)c43.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C20H12O6S2.2Na.2H/c21-27(22,23)17-9-7-13-14-8-10-18(28(24,25)26)16-6-2-4-12(20(14)16)11-3-1-5-15(17)19(11)13;;;;/h1-10H,(H,21,22,23)(H,24,25,26);;;;/q;2*+1;2*-1
InChIKeyAVKQVJFDPHQFOL-UHFFFAOYSA-N
MW460.44 g/mol
LogP-1.54
Rot. Bonds2

About disodium;hydride;perylene-3,10-disulfonic acid

disodium;hydride;perylene-3,10-disulfonic acid (PubChem CID 173363289) has the molecular formula C20H14Na2O6S2 and a molecular weight of 460.44 g/mol. Its IUPAC name is disodium;hydride;perylene-3,10-disulfonic acid.

Molecular Properties

Compound Namedisodium;hydride;perylene-3,10-disulfonic acid
PubChem CID173363289
Molecular FormulaC20H14Na2O6S2
Molecular Weight460.44 g/mol
Exact Mass460.00
IUPAC Namedisodium;hydride;perylene-3,10-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c3ccc(S(=O)(=O)O)c4cccc(c5cccc1c52)c43.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C20H12O6S2.2Na.2H/c21-27(22,23)17-9-7-13-14-8-10-18(28(24,25)26)16-6-2-4-12(20(14)16)11-3-1-5-15(17)19(11)13;;;;/h1-10H,(H,21,22,23)(H,24,25,26);;;;/q;2*+1;2*-1
InChIKeyAVKQVJFDPHQFOL-UHFFFAOYSA-N
XLogP-1.54
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze disodium;hydride;perylene-3,10-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
perylene-3,4,9,10-tetrasulfonic acid
CID 101082081
ethene;pyrene-1-sulfonic acid
CID 157123261
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
sodium;pyrene-1-sulfonate;pyrene-1-sulfonic acid
CID 174624723
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
4-amino-5-chloronaphthalene-1-sulfonic acid
CID 130155184
sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride
CID 173415601

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;perylene-3,10-disulfonic acid?
The IUPAC name of disodium;hydride;perylene-3,10-disulfonic acid (CID 173363289) is disodium;hydride;perylene-3,10-disulfonic acid.
What is the SMILES notation for disodium;hydride;perylene-3,10-disulfonic acid?
The canonical SMILES for disodium;hydride;perylene-3,10-disulfonic acid is O=S(=O)(O)c1ccc2c3ccc(S(=O)(=O)O)c4cccc(c5cccc1c52)c43.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;perylene-3,10-disulfonic acid?
The InChIKey is AVKQVJFDPHQFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O6S2.2Na.2H/c21-27(22,23)17-9-7-13-14-8-10-18(28(24,25)26)16-6-2-4-12(20(14)16)11-3-1-5-15(17)19(11)13;;;;/h1-10H,(H,21,22,23)(H,24,25,26);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;perylene-3,10-disulfonic acid?
disodium;hydride;perylene-3,10-disulfonic acid has a molecular weight of 460.44 g/mol, XLogP of -1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;perylene-3,10-disulfonic acid is sourced from PubChem (CID 173363289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).