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

C36H35N4OPtSi- — CID 162465145

About [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-methyl-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]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum (PubChem CID 162465145) has the molecular formula C36H35N4OPtSi- and a molecular weight of 762.87 g/mol. Its IUPAC name is [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-methyl-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]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
• PubChem CID: 162465145
• Molecular Formula: C36H35N4OPtSi-
• Molecular Weight: 762.87 g/mol
• Exact Mass: 762.22
• IUPAC Name: [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
• SMILES: CN1[OH+]N(c2[c-]c([Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C36H34N4OSi.Pt/c1-36(2,3)25-20-21-37-35(22-25)39-31-15-8-7-14-29(31)30-19-18-28(24-34(30)39)42(5,6)27-13-11-12-26(23-27)40-33-17-10-9-16-32(33)38(4)41-40;/h7-22H,1-6H3;/q-2;/p+1
• InChIKey: OALHARNEHZRFIG-UHFFFAOYSA-O
• XLogP: 7.32
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.87
LogP ≤ 5	7.32
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'}

Frequently Asked Questions

What is the IUPAC name of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-methyl-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]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum (CID 162465145) is [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-methyl-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]-dimethyl-[3-(1-methyl-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]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum is CN1[OH+]N(c2[c-]c([Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].

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

The InChIKey is OALHARNEHZRFIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C36H34N4OSi.Pt/c1-36(2,3)25-20-21-37-35(22-25)39-31-15-8-7-14-29(31)30-19-18-28(24-34(30)39)42(5,6)27-13-11-12-26(23-27)40-33-17-10-9-16-32(33)38(4)41-40;/h7-22H,1-6H3;/q-2;/p+1.

What are the key properties of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-methyl-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]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum has a molecular weight of 762.87 g/mol, XLogP of 7.32, 4 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]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum is sourced from PubChem (CID 162465145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).