hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)

C46H42Na6O20P2Rh2S8-2 — CID 11355398

IUPAChexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)
SMILESCC(C)(C)[S-].CC(C)(C)[S-].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+].[C-]#[O+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Rh].[Rh]
InChIInChI=1S/2C18H15O9PS3.2C4H10S.2CO.6Na.2Rh/c2*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;2*1-4(2,3)5;2*1-2;;;;;;;;/h2*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);2*5H,1-3H3;;;;;;;;;;/q;;;;;;6*+1;;/p-8
InChIKeyBGPSCVHOXODKEY-UHFFFAOYSA-F
MW1577.06 g/mol
LogP-15.08
Rot. Bonds12

About hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)

hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium) (PubChem CID 11355398) has the molecular formula C46H42Na6O20P2Rh2S8-2 and a molecular weight of 1577.06 g/mol. Its IUPAC name is hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium).

Molecular Properties

Compound Namehexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)
PubChem CID11355398
Molecular FormulaC46H42Na6O20P2Rh2S8-2
Molecular Weight1577.06 g/mol
Exact Mass1575.70
IUPAC Namehexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)
SMILESCC(C)(C)[S-].CC(C)(C)[S-].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+].[C-]#[O+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Rh].[Rh]
InChIInChI=1S/2C18H15O9PS3.2C4H10S.2CO.6Na.2Rh/c2*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;2*1-4(2,3)5;2*1-2;;;;;;;;/h2*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);2*5H,1-3H3;;;;;;;;;;/q;;;;;;6*+1;;/p-8
InChIKeyBGPSCVHOXODKEY-UHFFFAOYSA-F
XLogP-15.08
TPSA383.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001577.06
LogP ≤ 5-15.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)?
The IUPAC name of hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium) (CID 11355398) is hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium).
What is the SMILES notation for hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)?
The canonical SMILES for hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium) is CC(C)(C)[S-].CC(C)(C)[S-].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+].[C-]#[O+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Rh].[Rh].
What is the InChIKey of hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)?
The InChIKey is BGPSCVHOXODKEY-UHFFFAOYSA-F. The full InChI is InChI=1S/2C18H15O9PS3.2C4H10S.2CO.6Na.2Rh/c2*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;2*1-4(2,3)5;2*1-2;;;;;;;;/h2*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);2*5H,1-3H3;;;;;;;;;;/q;;;;;;6*+1;;/p-8.
What are the key properties of hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium)?
hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium) has a molecular weight of 1577.06 g/mol, XLogP of -15.08, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;bis(3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate);carbon monoxide;bis(2-methylpropane-2-thiolate);bis(rhodium) is sourced from PubChem (CID 11355398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).