3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum

C36H48N4O4Pt2-2 — CID 177296338

IUPAC3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.[Pt].[Pt].[c-]1nc(-c2ccccn2)[c-]nc1-c1ccccn1
InChIInChI=1S/C14H8N4.2C11H20O2.2Pt/c1-3-7-15-11(5-1)13-9-18-14(10-17-13)12-6-2-4-8-16-12;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h1-8H;2*7,12H,1-6H3;;/q-2;;;;/b;2*8-7-;;
InChIKeyNLAGOHUANKWLMD-OXJOZFAVSA-N
MW990.96 g/mol
LogP8.38
Rot. Bonds4

About 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum

3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum (PubChem CID 177296338) has the molecular formula C36H48N4O4Pt2-2 and a molecular weight of 990.96 g/mol. Its IUPAC name is 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum.

Molecular Properties

Compound Name3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum
PubChem CID177296338
Molecular FormulaC36H48N4O4Pt2-2
Molecular Weight990.96 g/mol
Exact Mass990.30
IUPAC Name3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.[Pt].[Pt].[c-]1nc(-c2ccccn2)[c-]nc1-c1ccccn1
InChIInChI=1S/C14H8N4.2C11H20O2.2Pt/c1-3-7-15-11(5-1)13-9-18-14(10-17-13)12-6-2-4-8-16-12;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h1-8H;2*7,12H,1-6H3;;/q-2;;;;/b;2*8-7-;;
InChIKeyNLAGOHUANKWLMD-OXJOZFAVSA-N
XLogP8.38
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.96
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum?
The IUPAC name of 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum (CID 177296338) is 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum.
What is the SMILES notation for 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum?
The canonical SMILES for 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum is CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.[Pt].[Pt].[c-]1nc(-c2ccccn2)[c-]nc1-c1ccccn1.
What is the InChIKey of 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum?
The InChIKey is NLAGOHUANKWLMD-OXJOZFAVSA-N. The full InChI is InChI=1S/C14H8N4.2C11H20O2.2Pt/c1-3-7-15-11(5-1)13-9-18-14(10-17-13)12-6-2-4-8-16-12;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h1-8H;2*7,12H,1-6H3;;/q-2;;;;/b;2*8-7-;;.
What are the key properties of 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum?
3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum has a molecular weight of 990.96 g/mol, XLogP of 8.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum is sourced from PubChem (CID 177296338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).