trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate

C61H60Cl4N10O19Zn3 — CID 71656188

IUPACtrizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate
SMILESO=C([O-])[O-].[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].[Zn+2].c1ccc(CN(Cc2ccccn2)Cc2ccccc2CN(Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C60H60N10.CH2O3.4ClHO4.3Zn/c1-4-22-52(40-68(43-55-25-7-13-31-61-55)44-56-26-8-14-32-62-56)49(19-1)37-67(38-50-20-2-5-23-53(50)41-69(45-57-27-9-15-33-63-57)46-58-28-10-16-34-64-58)39-51-21-3-6-24-54(51)42-70(47-59-29-11-17-35-65-59)48-60-30-12-18-36-66-60;2-1(3)4;4*2-1(3,4)5;;;/h1-36H,37-48H2;(H2,2,3,4);4*(H,2,3,4,5);;;/q;;;;;;3*+2/p-6
InChIKeyPCCPQHPSDFPXES-UHFFFAOYSA-H
MW1575.18 g/mol
LogP-10.61
Rot. Bonds24

About trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate

trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate (PubChem CID 71656188) has the molecular formula C61H60Cl4N10O19Zn3 and a molecular weight of 1575.18 g/mol. Its IUPAC name is trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate.

Molecular Properties

Compound Nametrizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate
PubChem CID71656188
Molecular FormulaC61H60Cl4N10O19Zn3
Molecular Weight1575.18 g/mol
Exact Mass1568.07
IUPAC Nametrizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate
SMILESO=C([O-])[O-].[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].[Zn+2].c1ccc(CN(Cc2ccccn2)Cc2ccccc2CN(Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C60H60N10.CH2O3.4ClHO4.3Zn/c1-4-22-52(40-68(43-55-25-7-13-31-61-55)44-56-26-8-14-32-62-56)49(19-1)37-67(38-50-20-2-5-23-53(50)41-69(45-57-27-9-15-33-63-57)46-58-28-10-16-34-64-58)39-51-21-3-6-24-54(51)42-70(47-59-29-11-17-35-65-59)48-60-30-12-18-36-66-60;2-1(3)4;4*2-1(3,4)5;;;/h1-36H,37-48H2;(H2,2,3,4);4*(H,2,3,4,5);;;/q;;;;;;3*+2/p-6
InChIKeyPCCPQHPSDFPXES-UHFFFAOYSA-H
XLogP-10.61
TPSA522.45 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001575.18
LogP ≤ 5-10.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate with MolForge

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Launch Full Analysis

Related Compounds

Iron(2+), tris(4,4'-dimethyl-2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 85077
trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;hydrogen phosphate;tetrakis(trifluoromethanesulfonate)
CID 71656185
trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;hexakis(trifluoromethanesulfonate)
CID 71656186
trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;tetrakis(trifluoromethanesulfonate);carbonate
CID 71656189
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine
CID 71656187
Hexameric circular helicate
CID 77054837
Dethreaded oligobipydrine macrocycle
CID 77054838
Tris(5-(2-but-3-enylphenyl)-2-[5-[2-[6-[5-[2-[6-[5-(2-but-3-enylphenyl)-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine);tris(iron(2+))
CID 77054839
5,5'-Bis(2-(5'-(2-(but-3-en-1-yl)phenyl)-[2,2'-bipyridin]-5-yl)ethyl)-2,2'-bipyridine
CID 77054840
Star of David Catenand
CID 77054841
Star of David Catenate
CID 77054842
2-[5-(2-But-3-enylphenyl)-2-pyridinyl]-5-[2-[6-[5-[2-[6-(3-but-3-enyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]pyridine
CID 134959848

Frequently Asked Questions

What is the IUPAC name of trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate?
The IUPAC name of trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate (CID 71656188) is trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate.
What is the SMILES notation for trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate?
The canonical SMILES for trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate is O=C([O-])[O-].[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].[Zn+2].c1ccc(CN(Cc2ccccn2)Cc2ccccc2CN(Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)Cc2ccccc2CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate?
The InChIKey is PCCPQHPSDFPXES-UHFFFAOYSA-H. The full InChI is InChI=1S/C60H60N10.CH2O3.4ClHO4.3Zn/c1-4-22-52(40-68(43-55-25-7-13-31-61-55)44-56-26-8-14-32-62-56)49(19-1)37-67(38-50-20-2-5-23-53(50)41-69(45-57-27-9-15-33-63-57)46-58-28-10-16-34-64-58)39-51-21-3-6-24-54(51)42-70(47-59-29-11-17-35-65-59)48-60-30-12-18-36-66-60;2-1(3)4;4*2-1(3,4)5;;;/h1-36H,37-48H2;(H2,2,3,4);4*(H,2,3,4,5);;;/q;;;;;;3*+2/p-6.
What are the key properties of trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate?
trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate has a molecular weight of 1575.18 g/mol, XLogP of -10.61, 24 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]methanamine;carbonate;tetraperchlorate is sourced from PubChem (CID 71656188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).