methylideneruthenium(1+);phenyl(phenyl)diazene

C13H11N2Ru — CID 153361952

IUPACmethylideneruthenium(1+);phenyl(phenyl)diazene
SMILESC=[Ru+].[c-]1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C12H9N2.CH2.Ru/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;;/h1-9H;1H2;/q-1;;+1/b14-13+;;
InChIKeyWJNAQYLNLCQSCX-QDBORUFSSA-N
MW296.32 g/mol
LogP3.87
Rot. Bonds2

About methylideneruthenium(1+);phenyl(phenyl)diazene

methylideneruthenium(1+);phenyl(phenyl)diazene (PubChem CID 153361952) has the molecular formula C13H11N2Ru and a molecular weight of 296.32 g/mol. Its IUPAC name is methylideneruthenium(1+);phenyl(phenyl)diazene.

Molecular Properties

Compound Namemethylideneruthenium(1+);phenyl(phenyl)diazene
PubChem CID153361952
Molecular FormulaC13H11N2Ru
Molecular Weight296.32 g/mol
Exact Mass297.00
IUPAC Namemethylideneruthenium(1+);phenyl(phenyl)diazene
SMILESC=[Ru+].[c-]1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C12H9N2.CH2.Ru/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;;/h1-9H;1H2;/q-1;;+1/b14-13+;;
InChIKeyWJNAQYLNLCQSCX-QDBORUFSSA-N
XLogP3.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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phenyl-[4-(2-phenylphenyl)phenyl]diazene
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(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium
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diphenyldiazene;urea
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4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
[4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene
CID 132507261
CID 134935928
CID 134935928
(4-methyl-3-pyridinyl)-phenyldiazene
CID 121008479
4-chloro-5-methyl-2-phenyldiazenylphenol
CID 135930261

Frequently Asked Questions

What is the IUPAC name of methylideneruthenium(1+);phenyl(phenyl)diazene?
The IUPAC name of methylideneruthenium(1+);phenyl(phenyl)diazene (CID 153361952) is methylideneruthenium(1+);phenyl(phenyl)diazene.
What is the SMILES notation for methylideneruthenium(1+);phenyl(phenyl)diazene?
The canonical SMILES for methylideneruthenium(1+);phenyl(phenyl)diazene is C=[Ru+].[c-]1ccccc1/N=N/c1ccccc1.
What is the InChIKey of methylideneruthenium(1+);phenyl(phenyl)diazene?
The InChIKey is WJNAQYLNLCQSCX-QDBORUFSSA-N. The full InChI is InChI=1S/C12H9N2.CH2.Ru/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;;/h1-9H;1H2;/q-1;;+1/b14-13+;;.
What are the key properties of methylideneruthenium(1+);phenyl(phenyl)diazene?
methylideneruthenium(1+);phenyl(phenyl)diazene has a molecular weight of 296.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylideneruthenium(1+);phenyl(phenyl)diazene is sourced from PubChem (CID 153361952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).