cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride

C20H29Cl2N5ORuS — CID 71532930

IUPACcyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride
SMILESCS(C)=O.NC1CC(N)CC(N)C1.[Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C6H15N3.C2H6OS.2ClH.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-4-1-5(8)3-6(9)2-4;1-4(2)3;;;/h1-8H;4-6H,1-3,7-9H2;1-2H3;2*1H;/q;;;;;+2/p-2
InChIKeyWNVGEZJQQHAYOO-UHFFFAOYSA-L
MW559.53 g/mol
LogP-4.06
Rot. Bonds

About cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride

cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride (PubChem CID 71532930) has the molecular formula C20H29Cl2N5ORuS and a molecular weight of 559.53 g/mol. Its IUPAC name is cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride.

Molecular Properties

Compound Namecyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride
PubChem CID71532930
Molecular FormulaC20H29Cl2N5ORuS
Molecular Weight559.53 g/mol
Exact Mass559.05
IUPAC Namecyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride
SMILESCS(C)=O.NC1CC(N)CC(N)C1.[Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C6H15N3.C2H6OS.2ClH.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-4-1-5(8)3-6(9)2-4;1-4(2)3;;;/h1-8H;4-6H,1-3,7-9H2;1-2H3;2*1H;/q;;;;;+2/p-2
InChIKeyWNVGEZJQQHAYOO-UHFFFAOYSA-L
XLogP-4.06
TPSA120.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.53
LogP ≤ 5-4.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 11454092
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iridium(3+);1,10-phenanthroline
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osmium;tris(1,10-phenanthroline)
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CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
carbanide;1,10-phenanthroline;bis(trioxorhenium)
CID 59270684
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 175753824
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride?
The IUPAC name of cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride (CID 71532930) is cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride.
What is the SMILES notation for cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride?
The canonical SMILES for cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride is CS(C)=O.NC1CC(N)CC(N)C1.[Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride?
The InChIKey is WNVGEZJQQHAYOO-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.C6H15N3.C2H6OS.2ClH.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-4-1-5(8)3-6(9)2-4;1-4(2)3;;;/h1-8H;4-6H,1-3,7-9H2;1-2H3;2*1H;/q;;;;;+2/p-2.
What are the key properties of cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride?
cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride has a molecular weight of 559.53 g/mol, XLogP of -4.06, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride is sourced from PubChem (CID 71532930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).