bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium

C34H40B2Cl4N12O4Re2-10 — CID 139134609

IUPACbis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium
SMILESClCCl.ClCCl.[BH2-](n1cccn1)n1cccn1.[BH2-](n1cccn1)n1cccn1.[O-2].[O-2].[O-2].[O-2].[Re].[Re].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C6H8BN4.4C5H5N.2CH2Cl2.4O.2Re/c2*1-3-8-10(5-1)7-11-6-2-4-9-11;4*1-2-4-6-5-3-1;2*2-1-3;;;;;;/h2*1-6H,7H2;4*1-5H;2*1H2;;;;;;/q2*-1;;;;;;;4*-2;;
InChIKeyMZAHMZROQCSQAB-UHFFFAOYSA-N
MW1216.62 g/mol
LogP5.64
Rot. Bonds4

About bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium

bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium (PubChem CID 139134609) has the molecular formula C34H40B2Cl4N12O4Re2-10 and a molecular weight of 1216.62 g/mol. Its IUPAC name is bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium.

Molecular Properties

Compound Namebis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium
PubChem CID139134609
Molecular FormulaC34H40B2Cl4N12O4Re2-10
Molecular Weight1216.62 g/mol
Exact Mass1216.14
IUPAC Namebis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium
SMILESClCCl.ClCCl.[BH2-](n1cccn1)n1cccn1.[BH2-](n1cccn1)n1cccn1.[O-2].[O-2].[O-2].[O-2].[Re].[Re].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C6H8BN4.4C5H5N.2CH2Cl2.4O.2Re/c2*1-3-8-10(5-1)7-11-6-2-4-9-11;4*1-2-4-6-5-3-1;2*2-1-3;;;;;;/h2*1-6H,7H2;4*1-5H;2*1H2;;;;;;/q2*-1;;;;;;;4*-2;;
InChIKeyMZAHMZROQCSQAB-UHFFFAOYSA-N
XLogP5.64
TPSA236.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.62
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate
CID 139043486
Iron(2+);phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide
CID 139048672
tris(dichloromethane);bis(N,N-dimethylpyridin-4-amine);bis(oxygen(2-));rhenium;tetra(pyrazol-1-yl)boranuide
CID 139134928
Bis(copper(1+));bis(tris(3-pyridin-4-ylpyrazol-1-yl)boranuide)
CID 139153231
Bis(osmium(2+));bis(pyrazol-1-ide);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 168344488
Iron(2+);tris(iron(3+));nickel(2+);nickel(3+);tetrakis(2-pyridin-2-ylpyridine);tetrakis(tri(pyrazol-1-yl)boranuide);dodecacyanide;dodecahydrate
CID 139138752

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium?
The IUPAC name of bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium (CID 139134609) is bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium.
What is the SMILES notation for bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium?
The canonical SMILES for bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium is ClCCl.ClCCl.[BH2-](n1cccn1)n1cccn1.[BH2-](n1cccn1)n1cccn1.[O-2].[O-2].[O-2].[O-2].[Re].[Re].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium?
The InChIKey is MZAHMZROQCSQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8BN4.4C5H5N.2CH2Cl2.4O.2Re/c2*1-3-8-10(5-1)7-11-6-2-4-9-11;4*1-2-4-6-5-3-1;2*2-1-3;;;;;;/h2*1-6H,7H2;4*1-5H;2*1H2;;;;;;/q2*-1;;;;;;;4*-2;;.
What are the key properties of bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium?
bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium has a molecular weight of 1216.62 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);bis(di(pyrazol-1-yl)boranuide);tetrakis(oxygen(2-));tetrakis(pyridine);rhenium is sourced from PubChem (CID 139134609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).