3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine

C24H28N2O2Pt — CID 139132626

IUPAC3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine
SMILESCC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H22O2.C10H8N2.Pt/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h7-8,15-16H,1-6H3;1-8H;/q;;+2/p-2
InChIKeyXVWWBWMOTDGUNQ-UHFFFAOYSA-L
MW571.58 g/mol
LogP4.57
Rot. Bonds1

About 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine

3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine (PubChem CID 139132626) has the molecular formula C24H28N2O2Pt and a molecular weight of 571.58 g/mol. Its IUPAC name is 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine
PubChem CID139132626
Molecular FormulaC24H28N2O2Pt
Molecular Weight571.58 g/mol
Exact Mass571.18
IUPAC Name3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine
SMILESCC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H22O2.C10H8N2.Pt/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h7-8,15-16H,1-6H3;1-8H;/q;;+2/p-2
InChIKeyXVWWBWMOTDGUNQ-UHFFFAOYSA-L
XLogP4.57
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.58
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[Bis(2-pyridylmethyl)(3,5-di-tert-butyl-2-hydroxybenzyl)amine]
CID 11395968
2,4-Ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15886611
N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 90894487
2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(propan-2-olate);zirconium(4+)
CID 139039285
2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;hafnium(4+);bis(propan-2-olate)
CID 139039286
Chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine
CID 139044462
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)
CID 139047677
Naphthalene-2,3-diolate;palladium(2+);2-pyridin-2-ylpyridine
CID 139059130
[Ti{(2-C5H4N)CH2N{2-O-3,5-C6H3(t-Bu)2}2}(NMe2)2]
CID 139096121
Bis(2-tert-butylphenolate);bis(pyridin-2-ylmethanolate);titanium(4+)
CID 139128839
2,4-Ditert-butyl-6-phenylazanidylphenolate;palladium(2+);2-pyridin-2-ylpyridine
CID 139133128
2,4-Ditert-butyl-6-phenylazanidylphenolate;palladium;2-pyridin-2-ylpyridine;hexafluorophosphate
CID 139133129

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine?
The IUPAC name of 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine (CID 139132626) is 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine.
What is the SMILES notation for 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine?
The canonical SMILES for 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine is CC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine?
The InChIKey is XVWWBWMOTDGUNQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H22O2.C10H8N2.Pt/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h7-8,15-16H,1-6H3;1-8H;/q;;+2/p-2.
What are the key properties of 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine?
3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine has a molecular weight of 571.58 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139132626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).