Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)

C40H36Cl2FeN2P2Ru — CID 134159222

IUPAC—
SMILESCl[Ru]Cl.NCc1ccccn1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe]
InChIInChI=1S/2C17H14P.C6H8N2.2ClH.Fe.Ru/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;7-5-6-3-1-2-4-8-6;;;;/h2*1-14H;1-4H,5,7H2;2*1H;;/q;;;;;;+2/p-2
InChIKeyLXRSWRXEKWKSHM-UHFFFAOYSA-L
MW834.51 g/mol
LogP8.88
Rot. Bonds7

About Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)

Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II) (PubChem CID 134159222) has the molecular formula C40H36Cl2FeN2P2Ru and a molecular weight of 834.51 g/mol.

Molecular Properties

Compound NameDichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)
PubChem CID134159222
Molecular FormulaC40H36Cl2FeN2P2Ru
Molecular Weight834.51 g/mol
Exact Mass834.01
IUPAC Name—
SMILESCl[Ru]Cl.NCc1ccccn1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe]
InChIInChI=1S/2C17H14P.C6H8N2.2ClH.Fe.Ru/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;7-5-6-3-1-2-4-8-6;;;;/h2*1-14H;1-4H,5,7H2;2*1H;;/q;;;;;;+2/p-2
InChIKeyLXRSWRXEKWKSHM-UHFFFAOYSA-L
XLogP8.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.51
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)
CID 11513273
bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine
CID 155885060
ethane;pyridin-2-ylmethanamine
CID 90791011
CID 11377421
CID 11377421
(1,1'-Bis(diphenylphosphino)ferrocene)tetracarbonyltungsten
CID 90474633
carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine
CID 11467142
CID 10963695
CID 10963695
dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 165378044
CID 134902805
CID 134902805
dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate
CID 11827856
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
ethane;2-methylpyridine;pyridin-2-ylmethanamine
CID 158124738

Frequently Asked Questions

What is the IUPAC name of Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)?
The IUPAC name of Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II) (CID 134159222) is not available.
What is the SMILES notation for Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)?
The canonical SMILES for Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II) is Cl[Ru]Cl.NCc1ccccn1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe].
What is the InChIKey of Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)?
The InChIKey is LXRSWRXEKWKSHM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H14P.C6H8N2.2ClH.Fe.Ru/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;7-5-6-3-1-2-4-8-6;;;;/h2*1-14H;1-4H,5,7H2;2*1H;;/q;;;;;;+2/p-2.
What are the key properties of Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)?
Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II) has a molecular weight of 834.51 g/mol, XLogP of 8.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II) is sourced from PubChem (CID 134159222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).