chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine

C41H41ClN2P2Ru — CID 54695427

IUPACchlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine
SMILESCc1c[c-]c(-c2cccc(CN)n2)cc1.Cl[Ru+].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.C13H13N2.ClH.Ru/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13;;/h1-12,15-22H,13-14,23-24H2;2-7H,9,14H2,1H3;1H;/q;-1;;+2/p-1
InChIKeyADFSXLPAFDLLDJ-UHFFFAOYSA-M
MW760.26 g/mol
LogP9.04
Rot. Bonds11

About chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine

chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine (PubChem CID 54695427) has the molecular formula C41H41ClN2P2Ru and a molecular weight of 760.26 g/mol. Its IUPAC name is chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Namechlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine
PubChem CID54695427
Molecular FormulaC41H41ClN2P2Ru
Molecular Weight760.26 g/mol
Exact Mass760.15
IUPAC Namechlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine
SMILESCc1c[c-]c(-c2cccc(CN)n2)cc1.Cl[Ru+].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.C13H13N2.ClH.Ru/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13;;/h1-12,15-22H,13-14,23-24H2;2-7H,9,14H2,1H3;1H;/q;-1;;+2/p-1
InChIKeyADFSXLPAFDLLDJ-UHFFFAOYSA-M
XLogP9.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.26
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))
CID 25131993
bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))
CID 25132700
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
[6-(2-methylphenyl)-2-pyridinyl]methanamine
CID 82505844
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 170997457
4-methylpentyl-(4-methylphenyl)-phenylphosphane
CID 56983506
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
CID 18962661
iridium;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);N-(2-phenylethyl)-2H-pyridin-1-id-2-amine
CID 165160883
2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline
CID 15912093

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine (CID 54695427) is chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine is Cc1c[c-]c(-c2cccc(CN)n2)cc1.Cl[Ru+].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine?
The InChIKey is ADFSXLPAFDLLDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H28P2.C13H13N2.ClH.Ru/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13;;/h1-12,15-22H,13-14,23-24H2;2-7H,9,14H2,1H3;1H;/q;-1;;+2/p-1.
What are the key properties of chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine?
chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine has a molecular weight of 760.26 g/mol, XLogP of 9.04, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 54695427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).