pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)

C42H38N2P2Ru — CID 11513273

IUPACpyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)
SMILESNCc1ccccn1.[Ru].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C6H8N2.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-6-3-1-2-4-8-6;/h2*1-15H;1-4H,5,7H2;
InChIKeyXDCRPTWZKMDTPR-UHFFFAOYSA-N
MW733.80 g/mol
LogP7.43
Rot. Bonds7

About pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)

pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane) (PubChem CID 11513273) has the molecular formula C42H38N2P2Ru and a molecular weight of 733.80 g/mol. Its IUPAC name is pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane).

Molecular Properties

Compound Namepyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)
PubChem CID11513273
Molecular FormulaC42H38N2P2Ru
Molecular Weight733.80 g/mol
Exact Mass734.16
IUPAC Namepyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)
SMILESNCc1ccccn1.[Ru].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C6H8N2.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-6-3-1-2-4-8-6;/h2*1-15H;1-4H,5,7H2;
InChIKeyXDCRPTWZKMDTPR-UHFFFAOYSA-N
XLogP7.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.80
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;pyridin-2-ylmethanamine
CID 90791011
Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)
CID 134159222
phosphanium;tris(triphenylphosphane);chloride
CID 160938283
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine
CID 11467142
triphenylphosphane;yttrium
CID 139917776
ethane;2-methylpyridine;pyridin-2-ylmethanamine
CID 158124738
bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine
CID 155885060
diphenyl(pyridin-2-yl)phosphane
CID 621893
ruthenium(2+);tetrakis(triphenylphosphane);dichloride
CID 46940376
palladium;ruthenium;triphenylphosphane
CID 174683160
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)?
The IUPAC name of pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane) (CID 11513273) is pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane).
What is the SMILES notation for pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)?
The canonical SMILES for pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane) is NCc1ccccn1.[Ru].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)?
The InChIKey is XDCRPTWZKMDTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.C6H8N2.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-6-3-1-2-4-8-6;/h2*1-15H;1-4H,5,7H2;.
What are the key properties of pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)?
pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane) has a molecular weight of 733.80 g/mol, XLogP of 7.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane) is sourced from PubChem (CID 11513273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).