1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride

C45H38ClP2Ru — CID 131664248

IUPAC1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride
SMILESC1=Cc2ccccc2C1.[Cl-].[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C9H8.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;;/h2*1-15H;1-6H,7H2;1H;/q;;;;+1/p-1
InChIKeyHSKWBDDPGODCGF-UHFFFAOYSA-M
MW777.27 g/mol
LogP6.15
Rot. Bonds6

About 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride

1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride (PubChem CID 131664248) has the molecular formula C45H38ClP2Ru and a molecular weight of 777.27 g/mol. Its IUPAC name is 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride.

Molecular Properties

Compound Name1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride
PubChem CID131664248
Molecular FormulaC45H38ClP2Ru
Molecular Weight777.27 g/mol
Exact Mass777.12
IUPAC Name1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride
SMILESC1=Cc2ccccc2C1.[Cl-].[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C9H8.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;;/h2*1-15H;1-6H,7H2;1H;/q;;;;+1/p-1
InChIKeyHSKWBDDPGODCGF-UHFFFAOYSA-M
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.27
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride?
The IUPAC name of 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride (CID 131664248) is 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride.
What is the SMILES notation for 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride?
The canonical SMILES for 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride is C1=Cc2ccccc2C1.[Cl-].[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride?
The InChIKey is HSKWBDDPGODCGF-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15P.C9H8.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;;/h2*1-15H;1-6H,7H2;1H;/q;;;;+1/p-1.
What are the key properties of 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride?
1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride has a molecular weight of 777.27 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene;ruthenium(1+);bis(triphenylphosphane);chloride is sourced from PubChem (CID 131664248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).