[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum

C43H33N4OPtSi- — CID 162465252

About [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum

[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum (PubChem CID 162465252) has the molecular formula C43H33N4OPtSi- and a molecular weight of 847.95 g/mol. Its IUPAC name is [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum.

Molecular Properties

• Compound Name: [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum
• PubChem CID: 162465252
• Molecular Formula: C43H33N4OPtSi-
• Molecular Weight: 847.95 g/mol
• Exact Mass: 847.23
• IUPAC Name: [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum
• SMILES: [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c([Si](c4[c-]c(N5[OH+]N(C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C43H32N4OSi.Pt/c1-31-26-27-44-43(28-31)46-39-21-10-9-20-37(39)38-25-24-36(30-42(38)46)49(33-15-5-3-6-16-33,34-17-7-4-8-18-34)35-19-13-14-32(29-35)47-41-23-12-11-22-40(41)45(2)48-47;/h3-28H,1-2H3;/q-2;/p+1/i1D3
• InChIKey: MYLKRHQHLPYIKQ-NIIDSAIPSA-O
• XLogP: 6.89
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.95
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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 [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum?

The IUPAC name of [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum (CID 162465252) is [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum.

What is the SMILES notation for [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum?

The canonical SMILES for [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum is [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c([Si](c4[c-]c(N5[OH+]N(C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum?

The InChIKey is MYLKRHQHLPYIKQ-NIIDSAIPSA-O. The full InChI is InChI=1S/C43H32N4OSi.Pt/c1-31-26-27-44-43(28-31)46-39-21-10-9-20-37(39)38-25-24-36(30-42(38)46)49(33-15-5-3-6-16-33,34-17-7-4-8-18-34)35-19-13-14-32(29-35)47-41-23-12-11-22-40(41)45(2)48-47;/h3-28H,1-2H3;/q-2;/p+1/i1D3;.

What are the key properties of [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum?

[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum has a molecular weight of 847.95 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum is sourced from PubChem (CID 162465252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).