2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum

C45H65N3O4Pt2-2 — CID 177296383

IUPAC2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-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.CC(C)(C)c1ccnc(-c2[c-]c[c-]c(-c3cc(C(C)(C)C)ccn3)n2)c1.[Pt].[Pt]
InChIInChI=1S/C23H25N3.2C11H20O2.2Pt/c1-22(2,3)16-10-12-24-20(14-16)18-8-7-9-19(26-18)21-15-17(11-13-25-21)23(4,5)6;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h7,10-15H,1-6H3;2*7,12H,1-6H3;;/q-2;;;;/b;2*8-7-;;
InChIKeyAOHVSQQRNSYOPS-OXJOZFAVSA-N
MW1102.19 g/mol
LogP11.58
Rot. Bonds4

About 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum

2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum (PubChem CID 177296383) has the molecular formula C45H65N3O4Pt2-2 and a molecular weight of 1102.19 g/mol. Its IUPAC name is 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum.

Molecular Properties

Compound Name2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum
PubChem CID177296383
Molecular FormulaC45H65N3O4Pt2-2
Molecular Weight1102.19 g/mol
Exact Mass1101.43
IUPAC Name2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-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.CC(C)(C)c1ccnc(-c2[c-]c[c-]c(-c3cc(C(C)(C)C)ccn3)n2)c1.[Pt].[Pt]
InChIInChI=1S/C23H25N3.2C11H20O2.2Pt/c1-22(2,3)16-10-12-24-20(14-16)18-8-7-9-19(26-18)21-15-17(11-13-25-21)23(4,5)6;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h7,10-15H,1-6H3;2*7,12H,1-6H3;;/q-2;;;;/b;2*8-7-;;
InChIKeyAOHVSQQRNSYOPS-OXJOZFAVSA-N
XLogP11.58
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.19
LogP ≤ 511.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

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
bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum;2-(7-pyridin-2-yl-2,8-dihydrodibenzofuran-2,8-diid-3-yl)pyridine
CID 177296376
1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 160716172
[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum
CID 58401881
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;3-phenylisoquinoline
CID 58239785
CID 6849360
CID 6849360
chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 5148179
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
CID 71311421
copper;bis((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 53393500
bis(cobalt(3+));tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 170922988
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone
CID 135252421

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum?
The IUPAC name of 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum (CID 177296383) is 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum.
What is the SMILES notation for 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum?
The canonical SMILES for 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-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.CC(C)(C)c1ccnc(-c2[c-]c[c-]c(-c3cc(C(C)(C)C)ccn3)n2)c1.[Pt].[Pt].
What is the InChIKey of 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum?
The InChIKey is AOHVSQQRNSYOPS-OXJOZFAVSA-N. The full InChI is InChI=1S/C23H25N3.2C11H20O2.2Pt/c1-22(2,3)16-10-12-24-20(14-16)18-8-7-9-19(26-18)21-15-17(11-13-25-21)23(4,5)6;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h7,10-15H,1-6H3;2*7,12H,1-6H3;;/q-2;;;;/b;2*8-7-;;.
What are the key properties of 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum?
2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum has a molecular weight of 1102.19 g/mol, XLogP of 11.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-tert-butyl-2-pyridinyl)-3,5-dihydropyridine-3,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum is sourced from PubChem (CID 177296383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).