2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)

C60H62N2O2Pt — CID 162771247

About 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)

2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+) (PubChem CID 162771247) has the molecular formula C60H62N2O2Pt and a molecular weight of 1048.31 g/mol. Its IUPAC name is 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)
• PubChem CID: 162771247
• Molecular Formula: C60H62N2O2Pt
• Molecular Weight: 1048.31 g/mol
• Exact Mass: 1047.51
• IUPAC Name: 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(C5CCC(C)(C6([2H])CC(C)(C)CC(C)(C)C6)CC5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[Pt+2]
• InChI: InChI=1S/C60H62N2O2.Pt/c1-36-24-53(61-33-38(36)3)43-25-50(41-16-12-11-13-17-41)40(5)55(26-43)63-45-27-51-48-21-20-42-18-14-15-19-47(42)56(48)64-57(51)52(28-45)54-29-49(39(4)34-62-54)46-22-23-60(10,30-37(46)2)44-31-58(6,7)35-59(8,9)32-44;/h11-21,24-25,27,29,33-34,37,44,46H,22-23,30-32,35H2,1-10H3;/q-2;+2/i1D3,3D3,5D3,44D
• InChIKey: IVSBEZRQUBZABV-WVPWSGRQSA-N
• XLogP: 16.92
• TPSA: 48.15 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.31
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)?

The IUPAC name of 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+) (CID 162771247) is 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+).

What is the SMILES notation for 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)?

The canonical SMILES for 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+) is [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c(-c4cc(C5CCC(C)(C6([2H])CC(C)(C)CC(C)(C)C6)CC5C)c(C)cn4)c4oc5c6ccccc6ccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].[Pt+2].

What is the InChIKey of 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)?

The InChIKey is IVSBEZRQUBZABV-WVPWSGRQSA-N. The full InChI is InChI=1S/C60H62N2O2.Pt/c1-36-24-53(61-33-38(36)3)43-25-50(41-16-12-11-13-17-41)40(5)55(26-43)63-45-27-51-48-21-20-42-18-14-15-19-47(42)56(48)64-57(51)52(28-45)54-29-49(39(4)34-62-54)46-22-23-60(10,30-37(46)2)44-31-58(6,7)35-59(8,9)32-44;/h11-21,24-25,27,29,33-34,37,44,46H,22-23,30-32,35H2,1-10H3;/q-2;+2/i1D3,3D3,5D3,44D;.

What are the key properties of 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)?

2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+) has a molecular weight of 1048.31 g/mol, XLogP of 16.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+) is sourced from PubChem (CID 162771247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).