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

C57H45N4OPtSi- — CID 162465240

About [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(2-phenylphenyl)-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-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum (PubChem CID 162465240) has the molecular formula C57H45N4OPtSi- and a molecular weight of 1025.18 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-(2-phenylphenyl)-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-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum
• PubChem CID: 162465240
• Molecular Formula: C57H45N4OPtSi-
• Molecular Weight: 1025.18 g/mol
• Exact Mass: 1024.30
• IUPAC Name: [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum
• SMILES: CC(C)(C)N1[OH+]N(c2[c-]c([Si](c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4-c4ccccc4)ccn3)(c3ccccc3)c3ccccc3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C57H44N4OSi.Pt/c1-57(2,3)61-54-33-18-17-32-53(54)60(62-61)43-22-19-27-46(39-43)63(44-23-9-5-10-24-44,45-25-11-6-12-26-45)47-34-35-51-50-30-15-16-31-52(50)59(55(51)40-47)56-38-42(36-37-58-56)49-29-14-13-28-48(49)41-20-7-4-8-21-41;/h4-38H,1-3H3;/q-2;/p+1
• InChIKey: RDBBFQCUDHJNNN-UHFFFAOYSA-O
• XLogP: 11.08
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.18
LogP ≤ 5	11.08
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-(2-phenylphenyl)-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-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum (CID 162465240) is [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(2-phenylphenyl)-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-(2-phenylphenyl)-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-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum is CC(C)(C)N1[OH+]N(c2[c-]c([Si](c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4-c4ccccc4)ccn3)(c3ccccc3)c3ccccc3)ccc2)c2ccccc21.[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-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum?

The InChIKey is RDBBFQCUDHJNNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C57H44N4OSi.Pt/c1-57(2,3)61-54-33-18-17-32-53(54)60(62-61)43-22-19-27-46(39-43)63(44-23-9-5-10-24-44,45-25-11-6-12-26-45)47-34-35-51-50-30-15-16-31-52(50)59(55(51)40-47)56-38-42(36-37-58-56)49-29-14-13-28-48(49)41-20-7-4-8-21-41;/h4-38H,1-3H3;/q-2;/p+1.

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-(2-phenylphenyl)-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-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum has a molecular weight of 1025.18 g/mol, XLogP of 11.08, 8 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-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum is sourced from PubChem (CID 162465240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).