anthracene-1,2,3-trisulfonate;tris(rubidium(1+))

C14H7O9Rb3S3 — CID 166518972

IUPACanthracene-1,2,3-trisulfonate;tris(rubidium(1+))
SMILESO=S(=O)([O-])c1cc2cc3ccccc3cc2c(S(=O)(=O)[O-])c1S(=O)(=O)[O-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C14H10O9S3.3Rb/c15-24(16,17)12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(25(18,19)20)14(12)26(21,22)23;;;/h1-7H,(H,15,16,17)(H,18,19,20)(H,21,22,23);;;/q;3*+1/p-3
InChIKeyKOHDBCFYGYPBGW-UHFFFAOYSA-K
MW671.81 g/mol
LogP-8.28
Rot. Bonds3

About anthracene-1,2,3-trisulfonate;tris(rubidium(1+))

anthracene-1,2,3-trisulfonate;tris(rubidium(1+)) (PubChem CID 166518972) has the molecular formula C14H7O9Rb3S3 and a molecular weight of 671.81 g/mol. Its IUPAC name is anthracene-1,2,3-trisulfonate;tris(rubidium(1+)).

Molecular Properties

Compound Nameanthracene-1,2,3-trisulfonate;tris(rubidium(1+))
PubChem CID166518972
Molecular FormulaC14H7O9Rb3S3
Molecular Weight671.81 g/mol
Exact Mass669.66
IUPAC Nameanthracene-1,2,3-trisulfonate;tris(rubidium(1+))
SMILESO=S(=O)([O-])c1cc2cc3ccccc3cc2c(S(=O)(=O)[O-])c1S(=O)(=O)[O-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C14H10O9S3.3Rb/c15-24(16,17)12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(25(18,19)20)14(12)26(21,22)23;;;/h1-7H,(H,15,16,17)(H,18,19,20)(H,21,22,23);;;/q;3*+1/p-3
InChIKeyKOHDBCFYGYPBGW-UHFFFAOYSA-K
XLogP-8.28
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.81
LogP ≤ 5-8.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

calcium anthracene-1,2-disulfonate
CID 166518917
disodium;2-aminonaphthalene-1,3-disulfonate
CID 101310222
disodium;3-tert-butylnaphthalene-1,2-disulfonate
CID 118006346
sodium 1-prop-1-en-2-ylanthracene-2-sulfonate
CID 140773307
disodium;anthracene-1,5-disulfonate
CID 87786614
tris(naphthalene-1,2-disulfonate);bis(neodymium(3+))
CID 141227115
calcium 1-prop-1-en-2-yloxysulfonylnaphthalene-2,3-disulfonate
CID 140773270
lithium 2-(2-methylprop-2-enyl)anthracene-1-sulfonate
CID 122612406
CID 173016081
CID 173016081
lithium anthracene
CID 22662646
tripotassium;benzene-1,2,3-trisulfonate
CID 139908271
3-nitronaphthalene-1,2-disulfonate
CID 23504320

Frequently Asked Questions

What is the IUPAC name of anthracene-1,2,3-trisulfonate;tris(rubidium(1+))?
The IUPAC name of anthracene-1,2,3-trisulfonate;tris(rubidium(1+)) (CID 166518972) is anthracene-1,2,3-trisulfonate;tris(rubidium(1+)).
What is the SMILES notation for anthracene-1,2,3-trisulfonate;tris(rubidium(1+))?
The canonical SMILES for anthracene-1,2,3-trisulfonate;tris(rubidium(1+)) is O=S(=O)([O-])c1cc2cc3ccccc3cc2c(S(=O)(=O)[O-])c1S(=O)(=O)[O-].[Rb+].[Rb+].[Rb+].
What is the InChIKey of anthracene-1,2,3-trisulfonate;tris(rubidium(1+))?
The InChIKey is KOHDBCFYGYPBGW-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H10O9S3.3Rb/c15-24(16,17)12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(25(18,19)20)14(12)26(21,22)23;;;/h1-7H,(H,15,16,17)(H,18,19,20)(H,21,22,23);;;/q;3*+1/p-3.
What are the key properties of anthracene-1,2,3-trisulfonate;tris(rubidium(1+))?
anthracene-1,2,3-trisulfonate;tris(rubidium(1+)) has a molecular weight of 671.81 g/mol, XLogP of -8.28, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,2,3-trisulfonate;tris(rubidium(1+)) is sourced from PubChem (CID 166518972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).