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

C46H39N4OPtSi- — CID 162465179

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

[3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum (PubChem CID 162465179) has the molecular formula C46H39N4OPtSi- and a molecular weight of 890.03 g/mol. Its IUPAC name is [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-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-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum
• PubChem CID: 162465179
• Molecular Formula: C46H39N4OPtSi-
• Molecular Weight: 890.03 g/mol
• Exact Mass: 889.27
• IUPAC Name: [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-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(C)(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C46H38N4OSi.Pt/c1-33-28-29-47-45(30-33)48-41-23-12-11-22-39(41)40-27-26-38(32-44(40)48)52(35-17-7-5-8-18-35,36-19-9-6-10-20-36)37-21-15-16-34(31-37)49-42-24-13-14-25-43(42)50(51-49)46(2,3)4;/h5-30H,1-4H3;/q-2;/p+1/i1D3
• InChIKey: QFEPEVOVKWXEBQ-NIIDSAIPSA-O
• XLogP: 8.06
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.03
LogP ≤ 5	8.06
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-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-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-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum (CID 162465179) is [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-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-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-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-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-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(C)(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is QFEPEVOVKWXEBQ-NIIDSAIPSA-O. The full InChI is InChI=1S/C46H38N4OSi.Pt/c1-33-28-29-47-45(30-33)48-41-23-12-11-22-39(41)40-27-26-38(32-44(40)48)52(35-17-7-5-8-18-35,36-19-9-6-10-20-36)37-21-15-16-34(31-37)49-42-24-13-14-25-43(42)50(51-49)46(2,3)4;/h5-30H,1-4H3;/q-2;/p+1/i1D3;.

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

[3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-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 890.03 g/mol, XLogP of 8.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-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 162465179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).