(2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium

C25H35Br2PRu — CID 158288010

IUPAC(2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium
SMILESBrC1CCCC(Br)(P(C2CCCCC2)C2CCCCC2)C1=Cc1ccccc1.[Ru]
InChIInChI=1S/C25H35Br2P.Ru/c26-24-17-10-18-25(27,23(24)19-20-11-4-1-5-12-20)28(21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1,4-5,11-12,19,21-22,24H,2-3,6-10,13-18H2;
InChIKeyGLADTKOOQWXLMS-UHFFFAOYSA-N
MW627.41 g/mol
LogP9.25
Rot. Bonds4

About (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium

(2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium (PubChem CID 158288010) has the molecular formula C25H35Br2PRu and a molecular weight of 627.41 g/mol. Its IUPAC name is (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium.

Molecular Properties

Compound Name(2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium
PubChem CID158288010
Molecular FormulaC25H35Br2PRu
Molecular Weight627.41 g/mol
Exact Mass625.99
IUPAC Name(2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium
SMILESBrC1CCCC(Br)(P(C2CCCCC2)C2CCCCC2)C1=Cc1ccccc1.[Ru]
InChIInChI=1S/C25H35Br2P.Ru/c26-24-17-10-18-25(27,23(24)19-20-11-4-1-5-12-20)28(21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1,4-5,11-12,19,21-22,24H,2-3,6-10,13-18H2;
InChIKeyGLADTKOOQWXLMS-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.41
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(Bromomethyl)benzyltriphenylphosphonium bromide
CID 198507
((4-(Bromomethyl)phenyl)methyl)(triphenyl)phosphanium bromide
CID 197927
3-(Bromomethyl)benzyltriphenylphosphonium bromide
CID 22269430
(1-Bromo-1-phenylethyl)(triphenyl)phosphorane
CID 420370
CID 498100
CID 498100
(1-Bromo-1-phenylethyl)triphenylphosphonium bromide
CID 24191519
(3-(Bromomethyl)benzyl)(triphenyl)phosphorane
CID 494045
((2-Bromoethyl)benzyl)triphenylphosphonium bromide
CID 57375855
[o-(Bromomethyl)benzyl]triphenylphosphonium bromide
CID 12410604
o-(Bromomethyl)phenyldiphenylphosphine
CID 22914207
Benzylidene(dichloro)ruthenium;tricyclohexylphosphanium
CID 59857898
(2-Bromo-1-phenylvinyl)diphenylphosphine
CID 71353165

Frequently Asked Questions

What is the IUPAC name of (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium?
The IUPAC name of (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium (CID 158288010) is (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium.
What is the SMILES notation for (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium?
The canonical SMILES for (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium is BrC1CCCC(Br)(P(C2CCCCC2)C2CCCCC2)C1=Cc1ccccc1.[Ru].
What is the InChIKey of (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium?
The InChIKey is GLADTKOOQWXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35Br2P.Ru/c26-24-17-10-18-25(27,23(24)19-20-11-4-1-5-12-20)28(21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1,4-5,11-12,19,21-22,24H,2-3,6-10,13-18H2;.
What are the key properties of (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium?
(2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium has a molecular weight of 627.41 g/mol, XLogP of 9.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium is sourced from PubChem (CID 158288010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).