tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium

C55H45O28P3RhS9 — CID 10171178

IUPACtris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium
SMILESO=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.[C-]#[O+].[Rh]
InChIInChI=1S/3C18H15O9PS3.CO.Rh/c3*19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;1-2;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;
InChIKeyPDFXGDDOIGDTFV-UHFFFAOYSA-N
MW1638.37 g/mol
LogP3.51
Rot. Bonds18

About tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium

tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium (PubChem CID 10171178) has the molecular formula C55H45O28P3RhS9 and a molecular weight of 1638.37 g/mol. Its IUPAC name is tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium.

Molecular Properties

Compound Nametris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium
PubChem CID10171178
Molecular FormulaC55H45O28P3RhS9
Molecular Weight1638.37 g/mol
Exact Mass1636.79
IUPAC Nametris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium
SMILESO=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.[C-]#[O+].[Rh]
InChIInChI=1S/3C18H15O9PS3.CO.Rh/c3*19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;1-2;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;
InChIKeyPDFXGDDOIGDTFV-UHFFFAOYSA-N
XLogP3.51
TPSA509.23 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001638.37
LogP ≤ 53.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

azane;3-[phenyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 173085808
trilithium;tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonate)
CID 139803926
DAN2PHOS
CID 87292960
3-bis[3-(trioxidanylsulfanyl)phenyl]phosphanylbenzenesulfonic acid
CID 23531400
3-[3-bis(3-sulfophenyl)phosphanylbutan-2-yl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 14387963
hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)
CID 11355398
3-[(3-sulfophenyl)-[2-(trifluoromethyl)phenyl]phosphanyl]benzenesulfonic acid
CID 87293012
triazanium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
CID 159895598
4-[phenyl-(4-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 4303689
3-[dodecyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 132544716
sodium;benzene;3-[[1-[2-bis(3-sulfophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(3-sulfophenyl)phosphanyl]benzenesulfonic acid;ruthenium;chloride
CID 23666117
dodecasodium;dodecakis(3-diphenylphosphanylbenzenesulfonate);gold;hexakis(gold(1+));hexachloride
CID 134159217

Frequently Asked Questions

What is the IUPAC name of tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium?
The IUPAC name of tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium (CID 10171178) is tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium.
What is the SMILES notation for tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium?
The canonical SMILES for tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium is O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1.[C-]#[O+].[Rh].
What is the InChIKey of tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium?
The InChIKey is PDFXGDDOIGDTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15O9PS3.CO.Rh/c3*19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;1-2;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;.
What are the key properties of tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium?
tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium has a molecular weight of 1638.37 g/mol, XLogP of 3.51, 18 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid);carbon monoxide;rhodium is sourced from PubChem (CID 10171178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).