CID 11570865

C28H20O4Ru2+2 — CID 11570865

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][C](Cc2ccccc2)[C]([C]2[CH][CH][CH][C]2Cc2ccccc2)[CH]1.[Ru+].[Ru+]
InChIInChI=1S/C24H20.4CO.2Ru/c1-3-9-19(10-4-1)17-21-13-7-15-23(21)24-16-8-14-22(24)18-20-11-5-2-6-12-20;4*1-2;;/h1-16H,17-18H2;;;;;;/q;;;;;2*+1
InChIKeyZULFOXRPEAGBJR-UHFFFAOYSA-N
MW622.60 g/mol
LogP4.87
Rot. Bonds5

About CID 11570865

CID 11570865 (PubChem CID 11570865) has the molecular formula C28H20O4Ru2+2 and a molecular weight of 622.60 g/mol.

Molecular Properties

Compound NameCID 11570865
PubChem CID11570865
Molecular FormulaC28H20O4Ru2+2
Molecular Weight622.60 g/mol
Exact Mass623.94
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][C](Cc2ccccc2)[C]([C]2[CH][CH][CH][C]2Cc2ccccc2)[CH]1.[Ru+].[Ru+]
InChIInChI=1S/C24H20.4CO.2Ru/c1-3-9-19(10-4-1)17-21-13-7-15-23(21)24-16-8-14-22(24)18-20-11-5-2-6-12-20;4*1-2;;/h1-16H,17-18H2;;;;;;/q;;;;;2*+1
InChIKeyZULFOXRPEAGBJR-UHFFFAOYSA-N
XLogP4.87
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.60
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11570865?
The IUPAC name of CID 11570865 (CID 11570865) is not available.
What is the SMILES notation for CID 11570865?
The canonical SMILES for CID 11570865 is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][C](Cc2ccccc2)[C]([C]2[CH][CH][CH][C]2Cc2ccccc2)[CH]1.[Ru+].[Ru+].
What is the InChIKey of CID 11570865?
The InChIKey is ZULFOXRPEAGBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20.4CO.2Ru/c1-3-9-19(10-4-1)17-21-13-7-15-23(21)24-16-8-14-22(24)18-20-11-5-2-6-12-20;4*1-2;;/h1-16H,17-18H2;;;;;;/q;;;;;2*+1.
What are the key properties of CID 11570865?
CID 11570865 has a molecular weight of 622.60 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11570865 is sourced from PubChem (CID 11570865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).