platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane

C49H35N4OPtSi-3 — CID 164725453

About platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane

platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane (PubChem CID 164725453) has the molecular formula C49H35N4OPtSi-3 and a molecular weight of 922.03 g/mol. Its IUPAC name is platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane.

Molecular Properties

• Compound Name: platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane
• PubChem CID: 164725453
• Molecular Formula: C49H35N4OPtSi-3
• Molecular Weight: 922.03 g/mol
• Exact Mass: 921.24
• IUPAC Name: platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane
• SMILES: [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C49H35N4OSi.Pt/c1-51-35-52(47-27-14-13-26-46(47)51)36-16-15-17-37(32-36)54-38-28-29-44-43-24-11-12-25-45(43)53(48(44)33-38)49-34-42(30-31-50-49)55(39-18-5-2-6-19-39,40-20-7-3-8-21-40)41-22-9-4-10-23-41;/h2-31,34-35H,1H3;/q-3;/i1D3
• InChIKey: UYSPURLFXQNAPU-NIIDSAIPSA-N
• XLogP: 8.65
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.03
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane?

The IUPAC name of platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane (CID 164725453) is platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane.

What is the SMILES notation for platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane?

The canonical SMILES for platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane is [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane?

The InChIKey is UYSPURLFXQNAPU-NIIDSAIPSA-N. The full InChI is InChI=1S/C49H35N4OSi.Pt/c1-51-35-52(47-27-14-13-26-46(47)51)36-16-15-17-37(32-36)54-38-28-29-44-43-24-11-12-25-45(43)53(48(44)33-38)49-34-42(30-31-50-49)55(39-18-5-2-6-19-39,40-20-7-3-8-21-40)41-22-9-4-10-23-41;/h2-31,34-35H,1H3;/q-3;/i1D3;.

What are the key properties of platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane?

platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane has a molecular weight of 922.03 g/mol, XLogP of 8.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;triphenyl-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane is sourced from PubChem (CID 164725453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).