naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)

C58H46O6P2S2 — CID 139146714

IUPACnaphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)
SMILESO=S(=O)([O-])c1ccc2cc(S(=O)(=O)[O-])ccc2c1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24H20P.C10H8O6S2/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h2*1-20H;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2
InChIKeyBUYOOPPIGQOHID-UHFFFAOYSA-L
MW965.08 g/mol
LogP9.26
Rot. Bonds10

About naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)

naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium) (PubChem CID 139146714) has the molecular formula C58H46O6P2S2 and a molecular weight of 965.08 g/mol. Its IUPAC name is naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium).

Molecular Properties

Compound Namenaphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)
PubChem CID139146714
Molecular FormulaC58H46O6P2S2
Molecular Weight965.08 g/mol
Exact Mass964.22
IUPAC Namenaphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)
SMILESO=S(=O)([O-])c1ccc2cc(S(=O)(=O)[O-])ccc2c1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24H20P.C10H8O6S2/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h2*1-20H;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2
InChIKeyBUYOOPPIGQOHID-UHFFFAOYSA-L
XLogP9.26
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.08
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)?
The IUPAC name of naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium) (CID 139146714) is naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium).
What is the SMILES notation for naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)?
The canonical SMILES for naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium) is O=S(=O)([O-])c1ccc2cc(S(=O)(=O)[O-])ccc2c1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)?
The InChIKey is BUYOOPPIGQOHID-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H20P.C10H8O6S2/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h2*1-20H;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2.
What are the key properties of naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium)?
naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium) has a molecular weight of 965.08 g/mol, XLogP of 9.26, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,6-disulfonate;bis(tetraphenylphosphanium) is sourced from PubChem (CID 139146714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).