benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)

C30H20N4RuS2 — CID 140589187

IUPACbenzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)
SMILES[Ru+2].[S-]c1ccccc1[S-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C6H6S2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-3-1-2-4-6(5)8;/h2*1-8H;1-4,7-8H;/q;;;+2/p-2
InChIKeyPAXVGOXQLZSTGB-UHFFFAOYSA-L
MW601.72 g/mol
LogP7.06
Rot. Bonds

About benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)

benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+) (PubChem CID 140589187) has the molecular formula C30H20N4RuS2 and a molecular weight of 601.72 g/mol. Its IUPAC name is benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+).

Molecular Properties

Compound Namebenzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)
PubChem CID140589187
Molecular FormulaC30H20N4RuS2
Molecular Weight601.72 g/mol
Exact Mass602.02
IUPAC Namebenzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)
SMILES[Ru+2].[S-]c1ccccc1[S-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C6H6S2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-3-1-2-4-6(5)8;/h2*1-8H;1-4,7-8H;/q;;;+2/p-2
InChIKeyPAXVGOXQLZSTGB-UHFFFAOYSA-L
XLogP7.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.72
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
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gallium tris(quinoline-8-thiolate)
CID 22102089
bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 175753824
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CID 117059127

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)?
The IUPAC name of benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+) (CID 140589187) is benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+).
What is the SMILES notation for benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)?
The canonical SMILES for benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+) is [Ru+2].[S-]c1ccccc1[S-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)?
The InChIKey is PAXVGOXQLZSTGB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.C6H6S2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-3-1-2-4-6(5)8;/h2*1-8H;1-4,7-8H;/q;;;+2/p-2.
What are the key properties of benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+)?
benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+) has a molecular weight of 601.72 g/mol, XLogP of 7.06, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-dithiolate;bis(1,10-phenanthroline);ruthenium(2+) is sourced from PubChem (CID 140589187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).