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

C51H41N4OPtSi- — CID 162465471

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

[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum (PubChem CID 162465471) has the molecular formula C51H41N4OPtSi- and a molecular weight of 949.08 g/mol. Its IUPAC name is [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum.

Molecular Properties

• Compound Name: [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
• PubChem CID: 162465471
• Molecular Formula: C51H41N4OPtSi-
• Molecular Weight: 949.08 g/mol
• Exact Mass: 948.27
• IUPAC Name: [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c([Si](c4[c-]c(N5[OH+]N(c6ccccc6)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C51H40N4OSi.Pt/c1-51(2,3)37-32-33-52-50(34-37)53-46-27-14-13-26-44(46)45-31-30-43(36-49(45)53)57(40-21-9-5-10-22-40,41-23-11-6-12-24-41)42-25-17-20-39(35-42)55-48-29-16-15-28-47(48)54(56-55)38-18-7-4-8-19-38;/h4-34H,1-3H3;/q-2;/p+1
• InChIKey: NTPUJEZBWRZDHX-UHFFFAOYSA-O
• XLogP: 9.58
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.08
LogP ≤ 5	9.58
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 [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum?

The IUPAC name of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum (CID 162465471) is [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum.

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

The canonical SMILES for [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c([Si](c4[c-]c(N5[OH+]N(c6ccccc6)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is NTPUJEZBWRZDHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C51H40N4OSi.Pt/c1-51(2,3)37-32-33-52-50(34-37)53-46-27-14-13-26-44(46)45-31-30-43(36-49(45)53)57(40-21-9-5-10-22-40,41-23-11-6-12-24-41)42-25-17-20-39(35-42)55-48-29-16-15-28-47(48)54(56-55)38-18-7-4-8-19-38;/h4-34H,1-3H3;/q-2;/p+1.

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

[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum has a molecular weight of 949.08 g/mol, XLogP of 9.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-diphenyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum is sourced from PubChem (CID 162465471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).