dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium

C28H41Cl2NPRu+ — CID 140600636

IUPACdichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1cccc2cccnc12
InChIInChI=1S/C18H33P.C10H7N.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-4-2-5-9-6-3-7-11-10(8)9;;;/h16-18H,1-15H2;1-7H;2*1H;/q;;;;+2/p-1
InChIKeyFMMWPDAIUXMDBT-UHFFFAOYSA-M
MW594.59 g/mol
LogP9.51
Rot. Bonds4

About dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium

dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium (PubChem CID 140600636) has the molecular formula C28H41Cl2NPRu+ and a molecular weight of 594.59 g/mol. Its IUPAC name is dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium.

Molecular Properties

Compound Namedichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium
PubChem CID140600636
Molecular FormulaC28H41Cl2NPRu+
Molecular Weight594.59 g/mol
Exact Mass594.14
IUPAC Namedichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1cccc2cccnc12
InChIInChI=1S/C18H33P.C10H7N.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-4-2-5-9-6-3-7-11-10(8)9;;;/h16-18H,1-15H2;1-7H;2*1H;/q;;;;+2/p-1
InChIKeyFMMWPDAIUXMDBT-UHFFFAOYSA-M
XLogP9.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.59
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 159486981
8-(2-chlorocycloheptyl)quinoline
CID 81223913
benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
CID 20682587
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium
CID 59117453
N'-quinolin-8-ylcyclohexanecarboximidamide
CID 63174574
1-cyclohexyl-2-quinolin-8-ylethane-1,2-diol
CID 103459066
(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide
CID 134061052
bis(3-bromopyridine);dichloro(3-methylbut-2-enylidene)ruthenium;tricyclohexylphosphanium
CID 20740762
8-cyclopropylquinoline
CID 66823369
3-quinolin-8-ylprop-2-enal
CID 73158990
N-cycloheptylquinoline-8-sulfonamide
CID 3244108

Frequently Asked Questions

What is the IUPAC name of dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium?
The IUPAC name of dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium (CID 140600636) is dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium.
What is the SMILES notation for dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium?
The canonical SMILES for dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1cccc2cccnc12.
What is the InChIKey of dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium?
The InChIKey is FMMWPDAIUXMDBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C10H7N.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-4-2-5-9-6-3-7-11-10(8)9;;;/h16-18H,1-15H2;1-7H;2*1H;/q;;;;+2/p-1.
What are the key properties of dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium?
dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium has a molecular weight of 594.59 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium is sourced from PubChem (CID 140600636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).