bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine

C40H46Cl2FeN2P2Ru — CID 155885060

IUPACbis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine
SMILESCl[Ru]Cl.NCc1ccccn1.[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/2C17H19P.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*1-6,9-12,17H,7-8,13-14H2;1-4H,5,7H2;2*1H;;/q;;;;;;+2/p-2
InChIKeyAEOYYMIHJTYMEH-UHFFFAOYSA-L
MW844.59 g/mol
LogP10.04
Rot. Bonds7

About bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine

bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine (PubChem CID 155885060) has the molecular formula C40H46Cl2FeN2P2Ru and a molecular weight of 844.59 g/mol. Its IUPAC name is bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine.

Molecular Properties

Compound Namebis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine
PubChem CID155885060
Molecular FormulaC40H46Cl2FeN2P2Ru
Molecular Weight844.59 g/mol
Exact Mass844.09
IUPAC Namebis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine
SMILESCl[Ru]Cl.NCc1ccccn1.[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/2C17H19P.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*1-6,9-12,17H,7-8,13-14H2;1-4H,5,7H2;2*1H;;/q;;;;;;+2/p-2
InChIKeyAEOYYMIHJTYMEH-UHFFFAOYSA-L
XLogP10.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.59
LogP ≤ 510.04
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

Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)
CID 134159222
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
cyclononyl(diphenyl)phosphane
CID 70908257
pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)
CID 11513273
ethane;pyridin-2-ylmethanamine
CID 90791011
cyclopentyl(dipyridin-2-yl)phosphane
CID 126497392
dicyclohexyl(2-pyridin-2-ylethyl)phosphane
CID 15721276
2-(cyclohexylmethyl)pyridine
CID 14762660
dichlororuthenium;2-diphenylphosphanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 165378044
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate
CID 11827856
ethane;2-methylpyridine;pyridin-2-ylmethanamine
CID 158124738

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine?
The IUPAC name of bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine (CID 155885060) is bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine.
What is the SMILES notation for bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine?
The canonical SMILES for bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine is Cl[Ru]Cl.NCc1ccccn1.[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine?
The InChIKey is AEOYYMIHJTYMEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H19P.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*1-6,9-12,17H,7-8,13-14H2;1-4H,5,7H2;2*1H;;/q;;;;;;+2/p-2.
What are the key properties of bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine?
bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine has a molecular weight of 844.59 g/mol, XLogP of 10.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine is sourced from PubChem (CID 155885060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).