bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium

C44H44N2O4P2Ru — CID 11982785

IUPACbis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ru].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/2C17H14NP.2C5H8O2.Ru/c2*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;2*1-4(6)3-5(2)7;/h2*1-14H;2*3,6H,1-2H3;/b;;2*4-3-;
InChIKeyFFOWNCQABZCQLG-DERJAXIWSA-N
MW827.86 g/mol
LogP7.75
Rot. Bonds8

About bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium

bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium (PubChem CID 11982785) has the molecular formula C44H44N2O4P2Ru and a molecular weight of 827.86 g/mol. Its IUPAC name is bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium.

Molecular Properties

Compound Namebis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium
PubChem CID11982785
Molecular FormulaC44H44N2O4P2Ru
Molecular Weight827.86 g/mol
Exact Mass828.18
IUPAC Namebis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ru].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/2C17H14NP.2C5H8O2.Ru/c2*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;2*1-4(6)3-5(2)7;/h2*1-14H;2*3,6H,1-2H3;/b;;2*4-3-;
InChIKeyFFOWNCQABZCQLG-DERJAXIWSA-N
XLogP7.75
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.86
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphenyl(pyridin-2-yl)phosphane
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(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
CID 58099744
CID 161450502
CID 161450502
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
CID 6826582
CID 6826582
(Z)-4-hydroxypent-3-en-2-one;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine
CID 58963787
acetic acid;triphenylphosphane;hydrochloride
CID 87530977

Frequently Asked Questions

What is the IUPAC name of bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium?
The IUPAC name of bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium (CID 11982785) is bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium.
What is the SMILES notation for bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium?
The canonical SMILES for bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ru].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium?
The InChIKey is FFOWNCQABZCQLG-DERJAXIWSA-N. The full InChI is InChI=1S/2C17H14NP.2C5H8O2.Ru/c2*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;2*1-4(6)3-5(2)7;/h2*1-14H;2*3,6H,1-2H3;/b;;2*4-3-;.
What are the key properties of bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium?
bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium has a molecular weight of 827.86 g/mol, XLogP of 7.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium is sourced from PubChem (CID 11982785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).