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

C44H52N2O5Pt2-2 — CID 177296376

About 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

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 (PubChem CID 177296376) has the molecular formula C44H52N2O5Pt2-2 and a molecular weight of 1079.06 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177296376
• Molecular Formula: C44H52N2O5Pt2-2
• Molecular Weight: 1079.06 g/mol
• Exact Mass: 1078.32
• IUPAC Name: 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
• SMILES: 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-]1cc2c(cc1-c1ccccn1)oc1cc(-c3ccccn3)[c-]cc12
• InChI: InChI=1S/C22H12N2O.2C11H20O2.2Pt/c1-3-11-23-19(5-1)15-7-9-17-18-10-8-16(20-6-2-4-12-24-20)14-22(18)25-21(17)13-15;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h1-6,9-14H;2*7,12H,1-6H3;;/q-2;;;;/b;2*8-7-
• InChIKey: LHTUYDFYLQRRJP-OXJOZFAVSA-N
• XLogP: 11.48
• TPSA: 113.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.06
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 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-]1cc2c(cc1-c1ccccn1)oc1cc(-c3ccccn3)[c-]cc12.

What is the InChIKey of 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?

The InChIKey is LHTUYDFYLQRRJP-OXJOZFAVSA-N. The full InChI is InChI=1S/C22H12N2O.2C11H20O2.2Pt/c1-3-11-23-19(5-1)15-7-9-17-18-10-8-16(20-6-2-4-12-24-20)14-22(18)25-21(17)13-15;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h1-6,9-14H;2*7,12H,1-6H3;;/q-2;;;;/b;2*8-7-;;.

What are the key properties of 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?

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 has a molecular weight of 1079.06 g/mol, XLogP of 11.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177296376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).