dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate

C82H89Cl4N15O16Zn2 — CID 139130854

IUPACdizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.Cc1cc(C)cc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4cc(C)cc(C)c4)n3)n2)c1.Cc1cc(C)cc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4cc(C)cc(C)c4)n3)n2)c1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C34H34N4.7C2H3N.4ClHO4.2Zn/c2*1-24-15-25(2)18-28(17-24)33-12-7-10-31(36-33)22-38(21-30-9-5-6-14-35-30)23-32-11-8-13-34(37-32)29-19-26(3)16-27(4)20-29;7*1-2-3;4*2-1(3,4)5;;/h2*5-20H,21-23H2,1-4H3;7*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;;;;2*+2/p-4
InChIKeyAECSCXSJXOWSPN-UHFFFAOYSA-J
MW1813.29 g/mol
LogP-0.04
Rot. Bonds16

About dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate

dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate (PubChem CID 139130854) has the molecular formula C82H89Cl4N15O16Zn2 and a molecular weight of 1813.29 g/mol. Its IUPAC name is dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate.

Molecular Properties

Compound Namedizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate
PubChem CID139130854
Molecular FormulaC82H89Cl4N15O16Zn2
Molecular Weight1813.29 g/mol
Exact Mass1807.39
IUPAC Namedizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.Cc1cc(C)cc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4cc(C)cc(C)c4)n3)n2)c1.Cc1cc(C)cc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4cc(C)cc(C)c4)n3)n2)c1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C34H34N4.7C2H3N.4ClHO4.2Zn/c2*1-24-15-25(2)18-28(17-24)33-12-7-10-31(36-33)22-38(21-30-9-5-6-14-35-30)23-32-11-8-13-34(37-32)29-19-26(3)16-27(4)20-29;7*1-2-3;4*2-1(3,4)5;;/h2*5-20H,21-23H2,1-4H3;7*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;;;;2*+2/p-4
InChIKeyAECSCXSJXOWSPN-UHFFFAOYSA-J
XLogP-0.04
TPSA619.31 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001813.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
Gross107 (Sudhakar)
CID 139174614
bis(1-[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]methyl]methanamine);hexane;decakis(pyridine);bis(uranium(4+))
CID 168337712
tetrakis(N-benzyl-N-(pyridin-2-ylmethyl)-1-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanamine);tetrakis(manganese(2+));octakis(trifluoromethanesulfonate)
CID 168345767
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862
2,6-Dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide
CID 157271142
CID 157577630
CID 157577630
4-Tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);bis(carbazol-9-ide);chloronickel;2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;bis(nickel(2+))
CID 158211177

Frequently Asked Questions

What is the IUPAC name of dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate?
The IUPAC name of dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate (CID 139130854) is dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate.
What is the SMILES notation for dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate?
The canonical SMILES for dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.Cc1cc(C)cc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4cc(C)cc(C)c4)n3)n2)c1.Cc1cc(C)cc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4cc(C)cc(C)c4)n3)n2)c1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate?
The InChIKey is AECSCXSJXOWSPN-UHFFFAOYSA-J. The full InChI is InChI=1S/2C34H34N4.7C2H3N.4ClHO4.2Zn/c2*1-24-15-25(2)18-28(17-24)33-12-7-10-31(36-33)22-38(21-30-9-5-6-14-35-30)23-32-11-8-13-34(37-32)29-19-26(3)16-27(4)20-29;7*1-2-3;4*2-1(3,4)5;;/h2*5-20H,21-23H2,1-4H3;7*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;;;;2*+2/p-4.
What are the key properties of dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate?
dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate has a molecular weight of 1813.29 g/mol, XLogP of -0.04, 16 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;heptakis(acetonitrile);bis(1-[6-(3,5-dimethylphenyl)-2-pyridinyl]-N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)methanamine);tetraperchlorate is sourced from PubChem (CID 139130854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).