carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)

C28H38BClN2O2PdY2-2 — CID 157115811

IUPACcarbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)
SMILESCC.CC.Clc1ccccn1.OB(O)c1ccccc1.[CH3-].[CH3-].[Pd].[Y].[Y].c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C11H9N.C6H7BO2.C5H4ClN.2C2H6.2CH3.Pd.2Y/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-7(9)6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;2*1-2;;;;;/h1-9H;1-5,8-9H;1-4H;2*1-2H3;2*1H3;;;/q;;;;;2*-1;;;
InChIKeyYZPXJHTTYIKYNO-UHFFFAOYSA-N
MW765.12 g/mol
LogP6.80
Rot. Bonds2

About carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)

carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium) (PubChem CID 157115811) has the molecular formula C28H38BClN2O2PdY2-2 and a molecular weight of 765.12 g/mol. Its IUPAC name is carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium).

Molecular Properties

Compound Namecarbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)
PubChem CID157115811
Molecular FormulaC28H38BClN2O2PdY2-2
Molecular Weight765.12 g/mol
Exact Mass763.99
IUPAC Namecarbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)
SMILESCC.CC.Clc1ccccn1.OB(O)c1ccccc1.[CH3-].[CH3-].[Pd].[Y].[Y].c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C11H9N.C6H7BO2.C5H4ClN.2C2H6.2CH3.Pd.2Y/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-7(9)6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;2*1-2;;;;;/h1-9H;1-5,8-9H;1-4H;2*1-2H3;2*1H3;;;/q;;;;;2*-1;;;
InChIKeyYZPXJHTTYIKYNO-UHFFFAOYSA-N
XLogP6.80
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.12
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
(-)-Chlorpheniramine
CID 716121
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
(Z)-1-(4-chlorophenyl)-N-methoxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]propan-1-imine
CID 11187957
(E)-1-(4-chlorophenyl)-N-methoxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]propan-1-imine
CID 11394708
(Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
CID 11849268
(E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
CID 11849816
5-((5-Methylpyridin-3-yl)methyl)-2-phenylpyridine
CID 57330086
2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
2-(1-Benzylpiperidin-4-ylidene)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155523802

Frequently Asked Questions

What is the IUPAC name of carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)?
The IUPAC name of carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium) (CID 157115811) is carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium).
What is the SMILES notation for carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)?
The canonical SMILES for carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium) is CC.CC.Clc1ccccn1.OB(O)c1ccccc1.[CH3-].[CH3-].[Pd].[Y].[Y].c1ccc(-c2ccccn2)cc1.
What is the InChIKey of carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)?
The InChIKey is YZPXJHTTYIKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.C6H7BO2.C5H4ClN.2C2H6.2CH3.Pd.2Y/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-7(9)6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;2*1-2;;;;;/h1-9H;1-5,8-9H;1-4H;2*1-2H3;2*1H3;;;/q;;;;;2*-1;;;.
What are the key properties of carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium)?
carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium) has a molecular weight of 765.12 g/mol, XLogP of 6.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-chloropyridine;ethane;palladium;phenylboronic acid;2-phenylpyridine;bis(yttrium) is sourced from PubChem (CID 157115811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).