bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate

C56H62Cl4N14O16Pd2 — CID 139146568

IUPACbis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate
SMILESCC#N.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Pd+2].[Pd+2].c1cc(CN2CCN(Cc3ccncc3)CC2)ccn1.c1cc(CN2CCN(Cc3ccncc3)CC2)ccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C16H20N4.2C10H8N2.2C2H3N.4ClHO4.2Pd/c2*1-5-17-6-2-15(1)13-19-9-11-20(12-10-19)14-16-3-7-18-8-4-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;4*2-1(3,4)5;;/h2*1-8H,9-14H2;2*1-8H;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;2*+2/p-4
InChIKeyDZFSPMLLNQJPRZ-UHFFFAOYSA-J
MW1541.85 g/mol
LogP-10.09
Rot. Bonds10

About bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate

bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate (PubChem CID 139146568) has the molecular formula C56H62Cl4N14O16Pd2 and a molecular weight of 1541.85 g/mol. Its IUPAC name is bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate
PubChem CID139146568
Molecular FormulaC56H62Cl4N14O16Pd2
Molecular Weight1541.85 g/mol
Exact Mass1538.13
IUPAC Namebis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate
SMILESCC#N.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Pd+2].[Pd+2].c1cc(CN2CCN(Cc3ccncc3)CC2)ccn1.c1cc(CN2CCN(Cc3ccncc3)CC2)ccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C16H20N4.2C10H8N2.2C2H3N.4ClHO4.2Pd/c2*1-5-17-6-2-15(1)13-19-9-11-20(12-10-19)14-16-3-7-18-8-4-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;4*2-1(3,4)5;;/h2*1-8H,9-14H2;2*1-8H;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;2*+2/p-4
InChIKeyDZFSPMLLNQJPRZ-UHFFFAOYSA-J
XLogP-10.09
TPSA532.62 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001541.85
LogP ≤ 5-10.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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Related Compounds

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CID 165340051
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tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
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Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
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Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
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Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
Ru(II)(bpy)2(Mebpy-cyclam-2H+)
CID 16683895
Iron(2+), tris(4,4'-dimethyl-2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 85077
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CID 129316181
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate?
The IUPAC name of bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate (CID 139146568) is bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate.
What is the SMILES notation for bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate?
The canonical SMILES for bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate is CC#N.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Pd+2].[Pd+2].c1cc(CN2CCN(Cc3ccncc3)CC2)ccn1.c1cc(CN2CCN(Cc3ccncc3)CC2)ccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate?
The InChIKey is DZFSPMLLNQJPRZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C16H20N4.2C10H8N2.2C2H3N.4ClHO4.2Pd/c2*1-5-17-6-2-15(1)13-19-9-11-20(12-10-19)14-16-3-7-18-8-4-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;4*2-1(3,4)5;;/h2*1-8H,9-14H2;2*1-8H;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;2*+2/p-4.
What are the key properties of bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate?
bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate has a molecular weight of 1541.85 g/mol, XLogP of -10.09, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(1,4-bis(pyridin-4-ylmethyl)piperazine);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);tetraperchlorate is sourced from PubChem (CID 139146568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).