copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate

C224H228Cu8F54N32O2P9 — CID 139151656

IUPACcopper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate
SMILESCc1ccc(N=Cc2ccc(/C=N/c3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(/C=N/c3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Cu+2].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C22H22N4.8C6H6.8Cu.9F6P.2H2O/c8*1-15-5-9-21(17(3)11-15)23-13-19-7-8-20(26-25-19)14-24-22-10-6-16(2)12-18(22)4;8*1-2-4-6-5-3-1;;;;;;;;;9*1-7(2,3,4,5)6;;/h8*5-14H,1-4H3;8*1-6H;;;;;;;;;;;;;;;;;;2*1H2/q;;;;;;;;;;;;;;;;7*+1;+2;9*-1;;/b2*23-13+,24-14?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyYYTWWICGCOKCQN-GDHXYMNXSA-N
MW5213.54 g/mol
LogP83.96
Rot. Bonds32

About copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate

copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate (PubChem CID 139151656) has the molecular formula C224H228Cu8F54N32O2P9 and a molecular weight of 5213.54 g/mol. Its IUPAC name is copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate.

Molecular Properties

Compound Namecopper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate
PubChem CID139151656
Molecular FormulaC224H228Cu8F54N32O2P9
Molecular Weight5213.54 g/mol
Exact Mass5205.99
IUPAC Namecopper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate
SMILESCc1ccc(N=Cc2ccc(/C=N/c3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(/C=N/c3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Cu+2].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C22H22N4.8C6H6.8Cu.9F6P.2H2O/c8*1-15-5-9-21(17(3)11-15)23-13-19-7-8-20(26-25-19)14-24-22-10-6-16(2)12-18(22)4;8*1-2-4-6-5-3-1;;;;;;;;;9*1-7(2,3,4,5)6;;/h8*5-14H,1-4H3;8*1-6H;;;;;;;;;;;;;;;;;;2*1H2/q;;;;;;;;;;;;;;;;7*+1;+2;9*-1;;/b2*23-13+,24-14?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyYYTWWICGCOKCQN-GDHXYMNXSA-N
XLogP83.96
TPSA467.00 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005213.54
LogP ≤ 583.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine
CID 139065143
N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine
CID 126095341
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3905059
3-[(2,4-dimethylphenyl)iminomethyl]-5-phenylthiophen-2-ol
CID 4682704
N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine
CID 1381168
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine
CID 779006
N-(2,4-dimethylphenyl)-1-quinolin-8-ylmethanimine
CID 10635102
1-(5-tert-butyl-2H-triazol-4-yl)-N-(2,4-dimethylphenyl)methanimine
CID 135500661
N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853689

Frequently Asked Questions

What is the IUPAC name of copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate?
The IUPAC name of copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate (CID 139151656) is copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate.
What is the SMILES notation for copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate?
The canonical SMILES for copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate is Cc1ccc(N=Cc2ccc(/C=N/c3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(/C=N/c3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3C)nn2)c(C)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.O.[Cu+2].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate?
The InChIKey is YYTWWICGCOKCQN-GDHXYMNXSA-N. The full InChI is InChI=1S/8C22H22N4.8C6H6.8Cu.9F6P.2H2O/c8*1-15-5-9-21(17(3)11-15)23-13-19-7-8-20(26-25-19)14-24-22-10-6-16(2)12-18(22)4;8*1-2-4-6-5-3-1;;;;;;;;;9*1-7(2,3,4,5)6;;/h8*5-14H,1-4H3;8*1-6H;;;;;;;;;;;;;;;;;;2*1H2/q;;;;;;;;;;;;;;;;7*+1;+2;9*-1;;/b2*23-13+,24-14?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate?
copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate has a molecular weight of 5213.54 g/mol, XLogP of 83.96, 32 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for copper;benzene;heptakis(copper(1+));octakis(N-(2,4-dimethylphenyl)-1-[6-[(2,4-dimethylphenyl)iminomethyl]pyridazin-3-yl]methanimine);nonahexafluorophosphate;dihydrate is sourced from PubChem (CID 139151656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).