chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide

C36H39ClN4Pt-3 — CID 155650468

About chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide

chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide (PubChem CID 155650468) has the molecular formula C36H39ClN4Pt-3 and a molecular weight of 762.29 g/mol. Its IUPAC name is chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide.

Molecular Properties

• Compound Name: chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide
• PubChem CID: 155650468
• Molecular Formula: C36H39ClN4Pt-3
• Molecular Weight: 762.29 g/mol
• Exact Mass: 761.28
• IUPAC Name: chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide
• SMILES: Cl[Pt].[2H]N1[CH-]N(c2[c-]c(N3[CH-]N(C([2H])([2H])[2H])c4ccccc43)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)c2ccccc21
• InChI: InChI=1S/C36H39N4.ClH.Pt/c1-23(2)26-18-30(24(3)4)36(31(19-26)25(5)6)27-16-28(39-21-37-32-12-8-9-13-33(32)39)20-29(17-27)40-22-38(7)34-14-10-11-15-35(34)40;;/h8-19,21-25,37H,1-7H3;1H;/q-3;;+1/p-1/i7D3;;/hD
• InChIKey: RAJWNMSPBSPMGC-QXYQCMETSA-M
• XLogP: 10.60
• TPSA: 21.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.29
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	1
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 chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide?

The IUPAC name of chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide (CID 155650468) is chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide.

What is the SMILES notation for chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide?

The canonical SMILES for chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide is Cl[Pt].[2H]N1[CH-]N(c2[c-]c(N3[CH-]N(C([2H])([2H])[2H])c4ccccc43)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)c2ccccc21.

What is the InChIKey of chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide?

The InChIKey is RAJWNMSPBSPMGC-QXYQCMETSA-M. The full InChI is InChI=1S/C36H39N4.ClH.Pt/c1-23(2)26-18-30(24(3)4)36(31(19-26)25(5)6)27-16-28(39-21-37-32-12-8-9-13-33(32)39)20-29(17-27)40-22-38(7)34-14-10-11-15-35(34)40;;/h8-19,21-25,37H,1-7H3;1H;/q-3;;+1/p-1/i7D3;;/hD.

What are the key properties of chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide?

chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide has a molecular weight of 762.29 g/mol, XLogP of 10.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for chloroplatinum;1-deuterio-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide is sourced from PubChem (CID 155650468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).