bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate

C30H44N6O14Pt2S2-6 — CID 139059155

IUPACbis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate
SMILESO.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[H]/N=C(/[O-])C(C)(C)C.[H]/N=C(/[O-])C(C)(C)C.[Pt].[Pt].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C5H11NO.2H2O4S.4H2O.2Pt/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-5(2,3)4(6)7;2*1-5(2,3)4;;;;;;/h2*1-8H;2*1-3H3,(H2,6,7);2*(H2,1,2,3,4);4*1H2;;/p-6
InChIKeyQKWRTYULUPIULZ-UHFFFAOYSA-H
MW1167.00 g/mol
LogP-0.95
Rot. Bonds2

About bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate

bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate (PubChem CID 139059155) has the molecular formula C30H44N6O14Pt2S2-6 and a molecular weight of 1167.00 g/mol. Its IUPAC name is bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate.

Molecular Properties

Compound Namebis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate
PubChem CID139059155
Molecular FormulaC30H44N6O14Pt2S2-6
Molecular Weight1167.00 g/mol
Exact Mass1166.17
IUPAC Namebis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate
SMILESO.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[H]/N=C(/[O-])C(C)(C)C.[H]/N=C(/[O-])C(C)(C)C.[Pt].[Pt].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C5H11NO.2H2O4S.4H2O.2Pt/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-5(2,3)4(6)7;2*1-5(2,3)4;;;;;;/h2*1-8H;2*1-3H3,(H2,6,7);2*(H2,1,2,3,4);4*1H2;;/p-6
InChIKeyQKWRTYULUPIULZ-UHFFFAOYSA-H
XLogP-0.95
TPSA431.90 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.00
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
Cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042189
ZINC;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139048111
Bis(2,2'-bipyridine-kappa^2^N,N')copper(I) trifluoromethanesulfonate
CID 139069240
Platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)
CID 139140728
dicopper;bis(copper(1+));tetrakis(N-(pyridin-2-ylmethyl)ethanimidate);bis(trifluoromethanesulfonate)
CID 139141773
Ethanimidate;tetrakis(palladium(2+));tetrakis(2-pyridin-2-ylpyridine);tetrakis(trifluoromethanesulfonate)
CID 139151981
2,6-Dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)
CID 139155845
Bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium
CID 139180750
mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(2,2'-bipyridyl)dicopper(II) trifluoromethanesulfonate
CID 139197159
Copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139200433

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate?
The IUPAC name of bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate (CID 139059155) is bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate.
What is the SMILES notation for bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate?
The canonical SMILES for bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate is O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[H]/N=C(/[O-])C(C)(C)C.[H]/N=C(/[O-])C(C)(C)C.[Pt].[Pt].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate?
The InChIKey is QKWRTYULUPIULZ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C10H8N2.2C5H11NO.2H2O4S.4H2O.2Pt/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-5(2,3)4(6)7;2*1-5(2,3)4;;;;;;/h2*1-8H;2*1-3H3,(H2,6,7);2*(H2,1,2,3,4);4*1H2;;/p-6.
What are the key properties of bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate?
bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate has a molecular weight of 1167.00 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropanimidate);platinum;bis(2-pyridin-2-ylpyridine);disulfate;tetrahydrate is sourced from PubChem (CID 139059155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).