2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+)

C40H40N2OPt — CID 162771081

About 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+)

2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+) (PubChem CID 162771081) has the molecular formula C40H40N2OPt and a molecular weight of 765.89 g/mol. Its IUPAC name is 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+)
• PubChem CID: 162771081
• Molecular Formula: C40H40N2OPt
• Molecular Weight: 765.89 g/mol
• Exact Mass: 765.32
• IUPAC Name: 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(C5CCC(C)(C)CC5C)c(C)cn4)ccc3)cc(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[Pt+2]
• InChI: InChI=1S/C40H40N2O.Pt/c1-26-17-38(41-24-28(26)3)33-18-32(30-11-8-7-9-12-30)20-35(21-33)43-34-14-10-13-31(19-34)39-22-37(29(4)25-42-39)36-15-16-40(5,6)23-27(36)2;/h7-14,17-18,20,22,24-25,27,36H,15-16,23H2,1-6H3;/q-2;+2/i1D3,3D3
• InChIKey: BBZSVRUKWZYJRS-WYTNBCSLSA-N
• XLogP: 10.72
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.89
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+)?

The IUPAC name of 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+) (CID 162771081) is 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+).

What is the SMILES notation for 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+)?

The canonical SMILES for 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+) is [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(C5CCC(C)(C)CC5C)c(C)cn4)ccc3)cc(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[Pt+2].

What is the InChIKey of 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+)?

The InChIKey is BBZSVRUKWZYJRS-WYTNBCSLSA-N. The full InChI is InChI=1S/C40H40N2O.Pt/c1-26-17-38(41-24-28(26)3)33-18-32(30-11-8-7-9-12-30)20-35(21-33)43-34-14-10-13-31(19-34)39-22-37(29(4)25-42-39)36-15-16-40(5,6)23-27(36)2;/h7-14,17-18,20,22,24-25,27,36H,15-16,23H2,1-6H3;/q-2;+2/i1D3,3D3;.

What are the key properties of 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+)?

2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+) has a molecular weight of 765.89 g/mol, XLogP of 10.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-methyl-4-(2,4,4-trimethylcyclohexyl)pyridine;platinum(2+) is sourced from PubChem (CID 162771081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).