dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride

C72H64Cl4Cu2N16 — CID 139058848

IUPACdicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2].[Cu+2].c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/8C9H8N2.4ClH.2Cu/c8*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;;;/h8*1-7H,(H,10,11);4*1H;;/q;;;;;;;;;;;;2*+2/p-4
InChIKeyNSSHQQFARXELMM-UHFFFAOYSA-J
MW1422.32 g/mol
LogP4.62
Rot. Bonds8

About dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride

dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride (PubChem CID 139058848) has the molecular formula C72H64Cl4Cu2N16 and a molecular weight of 1422.32 g/mol. Its IUPAC name is dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride.

Molecular Properties

Compound Namedicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride
PubChem CID139058848
Molecular FormulaC72H64Cl4Cu2N16
Molecular Weight1422.32 g/mol
Exact Mass1418.28
IUPAC Namedicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2].[Cu+2].c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/8C9H8N2.4ClH.2Cu/c8*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;;;/h8*1-7H,(H,10,11);4*1H;;/q;;;;;;;;;;;;2*+2/p-4
InChIKeyNSSHQQFARXELMM-UHFFFAOYSA-J
XLogP4.62
TPSA229.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001422.32
LogP ≤ 54.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

CID 139065503
CID 139065503
CID 139065798
CID 139065798
cyclo-Tris(mu~2~-3-phenyl-1H-pyrazole)tricopper(I)
CID 139069871
Di-mu-methoxido-kappa^4^O:O-bis[bis(3-methyl-5-phenyl-1H-pyrazole-kappaN^2^)copper(II)] bis(perchlorate)
CID 139073226
Dibromidotetrakis(1H-indazole-kappaN^2^)copper(II)
CID 139074170
3-(4-Fluorophenyl)-1H-pyrazole-5-(4-fluorophenyl)-1H-pyrazole (1/1)
CID 139086849
CID 139090023
CID 139090023
copper;5-phenyl-1H-pyrazole;tris(3-phenylpyrazol-1-yl)boranuide;isothiocyanate
CID 139131026
Bis[5-{4-fluorophenyl}pyrazolido]-bis[5-{4-fluorophenyl}pyrazole]copper(II)
CID 139151633
4-tert-butyl-5-(4-methylphenyl)-1H-pyrazole
CID 139175384
ethoxyethane;tris(5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrazole)
CID 139175719
Tris(palladium(2+));hexakis(3-phenylpyrazol-1-ide)
CID 139184997

Frequently Asked Questions

What is the IUPAC name of dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride?
The IUPAC name of dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride (CID 139058848) is dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride.
What is the SMILES notation for dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride?
The canonical SMILES for dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Cu+2].[Cu+2].c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride?
The InChIKey is NSSHQQFARXELMM-UHFFFAOYSA-J. The full InChI is InChI=1S/8C9H8N2.4ClH.2Cu/c8*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;;;/h8*1-7H,(H,10,11);4*1H;;/q;;;;;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride?
dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride has a molecular weight of 1422.32 g/mol, XLogP of 4.62, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;octakis(5-phenyl-1H-pyrazole);tetrachloride is sourced from PubChem (CID 139058848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).