bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate

C48H62Cl4N10Ni2O16 — CID 139132833

IUPACbis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate
SMILESCN(CCc1ccccn1)CCN(CCc1ccccn1)CCc1ccccn1.CN(CCc1ccccn1)CCN(CCc1ccccn1)CCc1ccccn1.[Ni+2].[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C24H31N5.4ClHO4.2Ni/c2*1-28(17-11-22-8-2-5-14-25-22)20-21-29(18-12-23-9-3-6-15-26-23)19-13-24-10-4-7-16-27-24;4*2-1(3,4)5;;/h2*2-10,14-16H,11-13,17-21H2,1H3;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyFAWFVONSSDIMDM-UHFFFAOYSA-J
MW1294.28 g/mol
LogP-12.76
Rot. Bonds24

About bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate

bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate (PubChem CID 139132833) has the molecular formula C48H62Cl4N10Ni2O16 and a molecular weight of 1294.28 g/mol. Its IUPAC name is bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate.

Molecular Properties

Compound Namebis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate
PubChem CID139132833
Molecular FormulaC48H62Cl4N10Ni2O16
Molecular Weight1294.28 g/mol
Exact Mass1290.18
IUPAC Namebis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate
SMILESCN(CCc1ccccn1)CCN(CCc1ccccn1)CCc1ccccn1.CN(CCc1ccccn1)CCN(CCc1ccccn1)CCc1ccccn1.[Ni+2].[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C24H31N5.4ClHO4.2Ni/c2*1-28(17-11-22-8-2-5-14-25-22)20-21-29(18-12-23-9-3-6-15-26-23)19-13-24-10-4-7-16-27-24;4*2-1(3,4)5;;/h2*2-10,14-16H,11-13,17-21H2,1H3;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyFAWFVONSSDIMDM-UHFFFAOYSA-J
XLogP-12.76
TPSA459.26 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001294.28
LogP ≤ 5-12.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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Related Compounds

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CID 161059
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Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Bis(2,2'-bipyridine-N,N')bis(S-nicotine-N1) ruthenium(2+) dichloride
CID 129316181
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate
CID 139130514
Fe(bipy)3(clo4)3
CID 14342153
cis-Dichlorobis(2,2'-dipyridyl)rhodium(III) chloride
CID 129896657

Frequently Asked Questions

What is the IUPAC name of bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate?
The IUPAC name of bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate (CID 139132833) is bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate.
What is the SMILES notation for bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate?
The canonical SMILES for bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate is CN(CCc1ccccn1)CCN(CCc1ccccn1)CCc1ccccn1.CN(CCc1ccccn1)CCN(CCc1ccccn1)CCc1ccccn1.[Ni+2].[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate?
The InChIKey is FAWFVONSSDIMDM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C24H31N5.4ClHO4.2Ni/c2*1-28(17-11-22-8-2-5-14-25-22)20-21-29(18-12-23-9-3-6-15-26-23)19-13-24-10-4-7-16-27-24;4*2-1(3,4)5;;/h2*2-10,14-16H,11-13,17-21H2,1H3;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4.
What are the key properties of bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate?
bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate has a molecular weight of 1294.28 g/mol, XLogP of -12.76, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methyl-N,N',N'-tris(2-pyridin-2-ylethyl)ethane-1,2-diamine);bis(nickel(2+));tetraperchlorate is sourced from PubChem (CID 139132833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).