carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)

C23H23Cl2N4Ru- — CID 23525097

IUPACcarbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)
SMILESCC=[Ru](Cl)Cl.[CH3-].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C10H8N2.C2H4.CH3.2ClH.Ru/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2;;;;/h2*1-8H;1H,2H3;1H3;2*1H;/q;;;-1;;;+2/p-2
InChIKeyZGJGDAWZCFFAKM-UHFFFAOYSA-L
MW527.44 g/mol
LogP6.47
Rot. Bonds2

About carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)

carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine) (PubChem CID 23525097) has the molecular formula C23H23Cl2N4Ru- and a molecular weight of 527.44 g/mol. Its IUPAC name is carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Namecarbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)
PubChem CID23525097
Molecular FormulaC23H23Cl2N4Ru-
Molecular Weight527.44 g/mol
Exact Mass527.03
IUPAC Namecarbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)
SMILESCC=[Ru](Cl)Cl.[CH3-].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C10H8N2.C2H4.CH3.2ClH.Ru/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2;;;;/h2*1-8H;1H,2H3;1H3;2*1H;/q;;;-1;;;+2/p-2
InChIKeyZGJGDAWZCFFAKM-UHFFFAOYSA-L
XLogP6.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.44
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;dichloro(ethylidene)ruthenium;bis(4-pyrrolidin-1-ylpyridine)
CID 23525100
ethane;4-pyridin-4-ylpyridine
CID 142013036
benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)
CID 20740760
gold;4-pyridin-4-ylpyridine
CID 159917709
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
4-pyridin-4-ylpyridine;bis(trifluoroborane)
CID 14319291
carbanide;dichloro(3-methylbuta-1,2-dienylidene)ruthenium;4-phenylpyridine;4-pyridin-4-ylpyridine
CID 23525103
bis(4-phenylpyridine);trichloroiridium
CID 58162878
molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate
CID 139140752
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
azane;4-phenylpyridine
CID 175775455
1-methyl-4-pyridin-4-ylpyridin-1-ium;hydrochloride
CID 174834692

Frequently Asked Questions

What is the IUPAC name of carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)?
The IUPAC name of carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine) (CID 23525097) is carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine).
What is the SMILES notation for carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)?
The canonical SMILES for carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine) is CC=[Ru](Cl)Cl.[CH3-].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)?
The InChIKey is ZGJGDAWZCFFAKM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.C2H4.CH3.2ClH.Ru/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2;;;;/h2*1-8H;1H,2H3;1H3;2*1H;/q;;;-1;;;+2/p-2.
What are the key properties of carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)?
carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine) has a molecular weight of 527.44 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 23525097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).