CID 11007792

C28H54F12N6O24P4Ru2S6 — CID 11007792

IUPAC—
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.COP(OC)OC.COP(OC)OC.COP(OC)OC.COP(OC)OC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ru+3].[Ru+3].[S-][S-]
InChIInChI=1S/4C3H9O3P.6C2H3N.4CHF3O3S.2Ru.S2/c4*1-4-7(5-2)6-3;6*1-2-3;4*2-1(3,4)8(5,6)7;;;1-2/h4*1-3H3;6*1H3;4*(H,5,6,7);;;/q;;;;;;;;;;;;;;2*+3;-2/p-4
InChIKeyMZLKXVGPMWBVFP-UHFFFAOYSA-J
MW1605.17 g/mol
LogP7.99
Rot. Bonds12

About CID 11007792

CID 11007792 (PubChem CID 11007792) has the molecular formula C28H54F12N6O24P4Ru2S6 and a molecular weight of 1605.17 g/mol.

Molecular Properties

Compound NameCID 11007792
PubChem CID11007792
Molecular FormulaC28H54F12N6O24P4Ru2S6
Molecular Weight1605.17 g/mol
Exact Mass1605.84
IUPAC Name—
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.COP(OC)OC.COP(OC)OC.COP(OC)OC.COP(OC)OC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ru+3].[Ru+3].[S-][S-]
InChIInChI=1S/4C3H9O3P.6C2H3N.4CHF3O3S.2Ru.S2/c4*1-4-7(5-2)6-3;6*1-2-3;4*2-1(3,4)8(5,6)7;;;1-2/h4*1-3H3;6*1H3;4*(H,5,6,7);;;/q;;;;;;;;;;;;;;2*+3;-2/p-4
InChIKeyMZLKXVGPMWBVFP-UHFFFAOYSA-J
XLogP7.99
TPSA482.30 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.17
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze CID 11007792 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 CID 11007792?
The IUPAC name of CID 11007792 (CID 11007792) is not available.
What is the SMILES notation for CID 11007792?
The canonical SMILES for CID 11007792 is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.COP(OC)OC.COP(OC)OC.COP(OC)OC.COP(OC)OC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ru+3].[Ru+3].[S-][S-].
What is the InChIKey of CID 11007792?
The InChIKey is MZLKXVGPMWBVFP-UHFFFAOYSA-J. The full InChI is InChI=1S/4C3H9O3P.6C2H3N.4CHF3O3S.2Ru.S2/c4*1-4-7(5-2)6-3;6*1-2-3;4*2-1(3,4)8(5,6)7;;;1-2/h4*1-3H3;6*1H3;4*(H,5,6,7);;;/q;;;;;;;;;;;;;;2*+3;-2/p-4.
What are the key properties of CID 11007792?
CID 11007792 has a molecular weight of 1605.17 g/mol, XLogP of 7.99, 12 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11007792 is sourced from PubChem (CID 11007792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).