dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate

C48H30K2O8P2S2 — CID 11051291

IUPACdipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2oc3ccc(P(c4ccccc4)c4ccccc4)c(-c4c(P(c5ccccc5)c5ccccc5)ccc5oc6ccc(S(=O)(=O)[O-])cc6c45)c3c2c1.[K+].[K+]
InChIInChI=1S/C48H32O8P2S2.2K/c49-59(50,51)35-21-23-39-37(29-35)45-41(55-39)25-27-43(57(31-13-5-1-6-14-31)32-15-7-2-8-16-32)47(45)48-44(58(33-17-9-3-10-18-33)34-19-11-4-12-20-34)28-26-42-46(48)38-30-36(60(52,53)54)22-24-40(38)56-42;;/h1-30H,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2
InChIKeyFOBRHLHVUMCOOY-UHFFFAOYSA-L
MW939.04 g/mol
LogP2.48
Rot. Bonds9

About dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate

dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate (PubChem CID 11051291) has the molecular formula C48H30K2O8P2S2 and a molecular weight of 939.04 g/mol. Its IUPAC name is dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate.

Molecular Properties

Compound Namedipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate
PubChem CID11051291
Molecular FormulaC48H30K2O8P2S2
Molecular Weight939.04 g/mol
Exact Mass938.01
IUPAC Namedipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2oc3ccc(P(c4ccccc4)c4ccccc4)c(-c4c(P(c5ccccc5)c5ccccc5)ccc5oc6ccc(S(=O)(=O)[O-])cc6c45)c3c2c1.[K+].[K+]
InChIInChI=1S/C48H32O8P2S2.2K/c49-59(50,51)35-21-23-39-37(29-35)45-41(55-39)25-27-43(57(31-13-5-1-6-14-31)32-15-7-2-8-16-32)47(45)48-44(58(33-17-9-3-10-18-33)34-19-11-4-12-20-34)28-26-42-46(48)38-30-36(60(52,53)54)22-24-40(38)56-42;;/h1-30H,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2
InChIKeyFOBRHLHVUMCOOY-UHFFFAOYSA-L
XLogP2.48
TPSA140.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500939.04
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate with MolForge

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Related Compounds

diazanium;4-methyl-3-[(2-methyl-5-sulfonatophenyl)-phenylphosphanyl]benzenesulfonate
CID 118690082
dodecasodium;dodecakis(3-diphenylphosphanylbenzenesulfonate);gold;hexakis(gold(1+));hexachloride
CID 134159217
triazanium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
CID 159895598
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
bis(4-methylphenyl)-(9-sulfanylidenexanthen-2-yl)sulfanium;4-methylbenzenesulfonate
CID 87537283
2-(methylsulfonimidoyl)xanthen-9-one
CID 129396383
2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane
CID 159907663
[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane
CID 88908059
trilithium;tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonate)
CID 139803926
aluminum;benzene;benzenesulfonate
CID 174875104
benzenesulfonate;thorium(4+)
CID 158251260
benzenesulfonate;cadmium(2+)
CID 22604243

Frequently Asked Questions

What is the IUPAC name of dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate?
The IUPAC name of dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate (CID 11051291) is dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate.
What is the SMILES notation for dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate?
The canonical SMILES for dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate is O=S(=O)([O-])c1ccc2oc3ccc(P(c4ccccc4)c4ccccc4)c(-c4c(P(c5ccccc5)c5ccccc5)ccc5oc6ccc(S(=O)(=O)[O-])cc6c45)c3c2c1.[K+].[K+].
What is the InChIKey of dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate?
The InChIKey is FOBRHLHVUMCOOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C48H32O8P2S2.2K/c49-59(50,51)35-21-23-39-37(29-35)45-41(55-39)25-27-43(57(31-13-5-1-6-14-31)32-15-7-2-8-16-32)47(45)48-44(58(33-17-9-3-10-18-33)34-19-11-4-12-20-34)28-26-42-46(48)38-30-36(60(52,53)54)22-24-40(38)56-42;;/h1-30H,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2.
What are the key properties of dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate?
dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate has a molecular weight of 939.04 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;8-diphenylphosphanyl-9-(2-diphenylphosphanyl-8-sulfonatodibenzofuran-1-yl)dibenzofuran-2-sulfonate is sourced from PubChem (CID 11051291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).