dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium

C19H35Cl2NPRu+ — CID 20749001

IUPACdichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium
SMILESCC(C)[PH+](C(C)C)C(C)C.Cc1cc(C)nc(CCC=[Ru](Cl)Cl)c1
InChIInChI=1S/C10H13N.C9H21P.2ClH.Ru/c1-4-5-10-7-8(2)6-9(3)11-10;1-7(2)10(8(3)4)9(5)6;;;/h1,6-7H,4-5H2,2-3H3;7-9H,1-6H3;2*1H;/q;;;;+2/p-1
InChIKeyOAXUJEDZPCTOQI-UHFFFAOYSA-M
MW480.45 g/mol
LogP6.78
Rot. Bonds6

About dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium

dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium (PubChem CID 20749001) has the molecular formula C19H35Cl2NPRu+ and a molecular weight of 480.45 g/mol. Its IUPAC name is dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium.

Molecular Properties

Compound Namedichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium
PubChem CID20749001
Molecular FormulaC19H35Cl2NPRu+
Molecular Weight480.45 g/mol
Exact Mass480.09
IUPAC Namedichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium
SMILESCC(C)[PH+](C(C)C)C(C)C.Cc1cc(C)nc(CCC=[Ru](Cl)Cl)c1
InChIInChI=1S/C10H13N.C9H21P.2ClH.Ru/c1-4-5-10-7-8(2)6-9(3)11-10;1-7(2)10(8(3)4)9(5)6;;;/h1,6-7H,4-5H2,2-3H3;7-9H,1-6H3;2*1H;/q;;;;+2/p-1
InChIKeyOAXUJEDZPCTOQI-UHFFFAOYSA-M
XLogP6.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium?
The IUPAC name of dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium (CID 20749001) is dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium.
What is the SMILES notation for dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium?
The canonical SMILES for dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium is CC(C)[PH+](C(C)C)C(C)C.Cc1cc(C)nc(CCC=[Ru](Cl)Cl)c1.
What is the InChIKey of dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium?
The InChIKey is OAXUJEDZPCTOQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13N.C9H21P.2ClH.Ru/c1-4-5-10-7-8(2)6-9(3)11-10;1-7(2)10(8(3)4)9(5)6;;;/h1,6-7H,4-5H2,2-3H3;7-9H,1-6H3;2*1H;/q;;;;+2/p-1.
What are the key properties of dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium?
dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium has a molecular weight of 480.45 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-(4,6-dimethyl-2-pyridinyl)propylidene]ruthenium;tri(propan-2-yl)phosphanium is sourced from PubChem (CID 20749001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).