dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)

C51H76Cl2P2Ru — CID 11029366

IUPACdichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/2C18H33P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*16-18H,1-15H2;1-9,11H;2*1H;/q;;;;;+2/p-2
InChIKeyUZAFZWUWHHFWOK-UHFFFAOYSA-L
MW923.09 g/mol
LogP17.51
Rot. Bonds7

About dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)

dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane) (PubChem CID 11029366) has the molecular formula C51H76Cl2P2Ru and a molecular weight of 923.09 g/mol. Its IUPAC name is dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane).

Molecular Properties

Compound Namedichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)
PubChem CID11029366
Molecular FormulaC51H76Cl2P2Ru
Molecular Weight923.09 g/mol
Exact Mass922.38
IUPAC Namedichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/2C18H33P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*16-18H,1-15H2;1-9,11H;2*1H;/q;;;;;+2/p-2
InChIKeyUZAFZWUWHHFWOK-UHFFFAOYSA-L
XLogP17.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.09
LogP ≤ 517.51
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 dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)?
The IUPAC name of dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane) (CID 11029366) is dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane).
What is the SMILES notation for dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)?
The canonical SMILES for dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane) is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)?
The InChIKey is UZAFZWUWHHFWOK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H33P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*16-18H,1-15H2;1-9,11H;2*1H;/q;;;;;+2/p-2.
What are the key properties of dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)?
dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane) has a molecular weight of 923.09 g/mol, XLogP of 17.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane) is sourced from PubChem (CID 11029366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).