[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum

C52H43N4OPtSi- — CID 162465277

About [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum

[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum (PubChem CID 162465277) has the molecular formula C52H43N4OPtSi- and a molecular weight of 963.11 g/mol. Its IUPAC name is [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum.

Molecular Properties

• Compound Name: [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum
• PubChem CID: 162465277
• Molecular Formula: C52H43N4OPtSi-
• Molecular Weight: 963.11 g/mol
• Exact Mass: 962.29
• IUPAC Name: [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum
• SMILES: CC(C)N1[OH+]N(c2[c-]c([Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C52H42N4OSi.Pt/c1-36(2)55-48-27-13-14-28-49(48)56(57-55)40-21-15-22-41(34-40)58(3,4)42-29-30-46-45-23-11-12-26-47(45)54(50(46)35-42)51-33-39(31-32-53-51)52-43(37-17-7-5-8-18-37)24-16-25-44(52)38-19-9-6-10-20-38;/h5-33,36H,1-4H3;/q-2;/p+1
• InChIKey: AALVGLSTQFCCSI-UHFFFAOYSA-O
• XLogP: 11.81
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.11
LogP ≤ 5	11.81
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-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum?

The IUPAC name of [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum (CID 162465277) is [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum.

What is the SMILES notation for [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum?

The canonical SMILES for [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum is CC(C)N1[OH+]N(c2[c-]c([Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)ccn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum?

The InChIKey is AALVGLSTQFCCSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C52H42N4OSi.Pt/c1-36(2)55-48-27-13-14-28-49(48)56(57-55)40-21-15-22-41(34-40)58(3,4)42-29-30-46-45-23-11-12-26-47(45)54(50(46)35-42)51-33-39(31-32-53-51)52-43(37-17-7-5-8-18-37)24-16-25-44(52)38-19-9-6-10-20-38;/h5-33,36H,1-4H3;/q-2;/p+1.

What are the key properties of [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum?

[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum has a molecular weight of 963.11 g/mol, XLogP of 11.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum is sourced from PubChem (CID 162465277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).