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

C36H35N4OPtSi- — CID 162465469

About [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-dimethyl-[9-(4-methyl-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]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum (PubChem CID 162465469) has the molecular formula C36H35N4OPtSi- and a molecular weight of 762.87 g/mol. Its IUPAC name is [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-dimethyl-[9-(4-methyl-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]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum
• PubChem CID: 162465469
• Molecular Formula: C36H35N4OPtSi-
• Molecular Weight: 762.87 g/mol
• Exact Mass: 762.22
• IUPAC Name: [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum
• SMILES: Cc1ccnc(-n2c3[c-]c([Si](C)(C)c4[c-]c(N5[OH+]N(C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C36H34N4OSi.Pt/c1-25-20-21-37-35(22-25)38-31-15-8-7-14-29(31)30-19-18-28(24-34(30)38)42(5,6)27-13-11-12-26(23-27)39-32-16-9-10-17-33(32)40(41-39)36(2,3)4;/h7-22H,1-6H3;/q-2;/p+1
• InChIKey: UNADJOYELYABND-UHFFFAOYSA-O
• XLogP: 7.50
• 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	7.50
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 [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-dimethyl-[9-(4-methyl-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]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum (CID 162465469) is [3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-dimethyl-[9-(4-methyl-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]-dimethyl-[9-(4-methyl-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]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum is Cc1ccnc(-n2c3[c-]c([Si](C)(C)c4[c-]c(N5[OH+]N(C(C)(C)C)c6ccccc65)ccc4)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]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum?

The InChIKey is UNADJOYELYABND-UHFFFAOYSA-O. The full InChI is InChI=1S/C36H34N4OSi.Pt/c1-25-20-21-37-35(22-25)38-31-15-8-7-14-29(31)30-19-18-28(24-34(30)38)42(5,6)27-13-11-12-26(23-27)39-32-16-9-10-17-33(32)40(41-39)36(2,3)4;/h7-22H,1-6H3;/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]-dimethyl-[9-(4-methyl-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]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum has a molecular weight of 762.87 g/mol, XLogP of 7.50, 4 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]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum is sourced from PubChem (CID 162465469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).