heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate

C178H162Ag8B7F28N32O16 — CID 139128349

IUPACheptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate
SMILESCOc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C20H18N4O2.3C6H6.8Ag.7BF4/c8*1-25-19-9-5-15(6-10-19)21-13-17-3-4-18(24-23-17)14-22-16-7-11-20(26-2)12-8-16;3*1-2-4-6-5-3-1;;;;;;;;;7*2-1(3,4)5/h8*3-14H,1-2H3;3*1-6H;;;;;;;;;;;;;;;/q;;;;;;;;;;;;7*+1;7*-1
InChIKeyKQVAPMNCYPCXEL-UHFFFAOYSA-N
MW4476.03 g/mol
LogP46.10
Rot. Bonds48

About heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate

heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate (PubChem CID 139128349) has the molecular formula C178H162Ag8B7F28N32O16 and a molecular weight of 4476.03 g/mol. Its IUPAC name is heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate.

Molecular Properties

Compound Nameheptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate
PubChem CID139128349
Molecular FormulaC178H162Ag8B7F28N32O16
Molecular Weight4476.03 g/mol
Exact Mass4467.55
IUPAC Nameheptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate
SMILESCOc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C20H18N4O2.3C6H6.8Ag.7BF4/c8*1-25-19-9-5-15(6-10-19)21-13-17-3-4-18(24-23-17)14-22-16-7-11-20(26-2)12-8-16;3*1-2-4-6-5-3-1;;;;;;;;;7*2-1(3,4)5/h8*3-14H,1-2H3;3*1-6H;;;;;;;;;;;;;;;/q;;;;;;;;;;;;7*+1;7*-1
InChIKeyKQVAPMNCYPCXEL-UHFFFAOYSA-N
XLogP46.10
TPSA551.68 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds48
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004476.03
LogP ≤ 546.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate?
The IUPAC name of heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate (CID 139128349) is heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate.
What is the SMILES notation for heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate?
The canonical SMILES for heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate is COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)nn2)cc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag].c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate?
The InChIKey is KQVAPMNCYPCXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/8C20H18N4O2.3C6H6.8Ag.7BF4/c8*1-25-19-9-5-15(6-10-19)21-13-17-3-4-18(24-23-17)14-22-16-7-11-20(26-2)12-8-16;3*1-2-4-6-5-3-1;;;;;;;;;7*2-1(3,4)5/h8*3-14H,1-2H3;3*1-6H;;;;;;;;;;;;;;;/q;;;;;;;;;;;;7*+1;7*-1.
What are the key properties of heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate?
heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate has a molecular weight of 4476.03 g/mol, XLogP of 46.10, 48 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for heptasilver;benzene;octakis(N-(4-methoxyphenyl)-1-[6-[(4-methoxyphenyl)iminomethyl]pyridazin-3-yl]methanimine);silver;heptatetrafluoroborate is sourced from PubChem (CID 139128349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).