dicopper;octakis(1H-indazole);tetrabromide

C56H48Br4Cu2N16 — CID 139074170

IUPACdicopper;octakis(1H-indazole);tetrabromide
SMILES[Br-].[Br-].[Br-].[Br-].[Cu+2].[Cu+2].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/8C7H6N2.4BrH.2Cu/c8*1-2-4-7-6(3-1)5-8-9-7;;;;;;/h8*1-5H,(H,8,9);4*1H;;/q;;;;;;;;;;;;2*+2/p-4
InChIKeyBDIQPUIROXUQDH-UHFFFAOYSA-J
MW1391.82 g/mol
LogP0.51
Rot. Bonds

About dicopper;octakis(1H-indazole);tetrabromide

dicopper;octakis(1H-indazole);tetrabromide (PubChem CID 139074170) has the molecular formula C56H48Br4Cu2N16 and a molecular weight of 1391.82 g/mol. Its IUPAC name is dicopper;octakis(1H-indazole);tetrabromide.

Molecular Properties

Compound Namedicopper;octakis(1H-indazole);tetrabromide
PubChem CID139074170
Molecular FormulaC56H48Br4Cu2N16
Molecular Weight1391.82 g/mol
Exact Mass1385.96
IUPAC Namedicopper;octakis(1H-indazole);tetrabromide
SMILES[Br-].[Br-].[Br-].[Br-].[Cu+2].[Cu+2].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/8C7H6N2.4BrH.2Cu/c8*1-2-4-7-6(3-1)5-8-9-7;;;;;;/h8*1-5H,(H,8,9);4*1H;;/q;;;;;;;;;;;;2*+2/p-4
InChIKeyBDIQPUIROXUQDH-UHFFFAOYSA-J
XLogP0.51
TPSA229.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001391.82
LogP ≤ 50.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 133083029
tris(1H-indazole);tetrachlororuthenium;hydrate
CID 129643357
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CID 139058848
CID 139065503
CID 139065503
CID 139065798
CID 139065798
cyclo-Tris(mu~2~-3-phenyl-1H-pyrazole)tricopper(I)
CID 139069871
3-(4-Fluorophenyl)-1H-pyrazole-5-(4-fluorophenyl)-1H-pyrazole (1/1)
CID 139086849
Benzene;bis(2,2,12,12-tetraethyl-3,13-diaza-1,11-diazonia-2,12-diboranuidapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaene)
CID 139105014
Bis[5-{4-fluorophenyl}pyrazolido]-bis[5-{4-fluorophenyl}pyrazole]copper(II)
CID 139151633
Unii-dio8fkp4J2
CID 86289346
chloroplatinum;bis(copper(1+));bis(3,5-diphenyl-1H-pyrazole);tetrakis(3,5-diphenylpyrazol-1-ide)
CID 59146594
bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium
CID 129627546

Frequently Asked Questions

What is the IUPAC name of dicopper;octakis(1H-indazole);tetrabromide?
The IUPAC name of dicopper;octakis(1H-indazole);tetrabromide (CID 139074170) is dicopper;octakis(1H-indazole);tetrabromide.
What is the SMILES notation for dicopper;octakis(1H-indazole);tetrabromide?
The canonical SMILES for dicopper;octakis(1H-indazole);tetrabromide is [Br-].[Br-].[Br-].[Br-].[Cu+2].[Cu+2].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of dicopper;octakis(1H-indazole);tetrabromide?
The InChIKey is BDIQPUIROXUQDH-UHFFFAOYSA-J. The full InChI is InChI=1S/8C7H6N2.4BrH.2Cu/c8*1-2-4-7-6(3-1)5-8-9-7;;;;;;/h8*1-5H,(H,8,9);4*1H;;/q;;;;;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;octakis(1H-indazole);tetrabromide?
dicopper;octakis(1H-indazole);tetrabromide has a molecular weight of 1391.82 g/mol, XLogP of 0.51, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;octakis(1H-indazole);tetrabromide is sourced from PubChem (CID 139074170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).