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

C45H37N4OPtSi- — CID 162465213

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

[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum (PubChem CID 162465213) has the molecular formula C45H37N4OPtSi- and a molecular weight of 872.98 g/mol. Its IUPAC name is [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum.

Molecular Properties

• Compound Name: [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum
• PubChem CID: 162465213
• Molecular Formula: C45H37N4OPtSi-
• Molecular Weight: 872.98 g/mol
• Exact Mass: 872.24
• IUPAC Name: [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum
• SMILES: CC(C)c1ccnc(-n2c3[c-]c([Si](c4[c-]c(N5[OH+]N(C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C45H36N4OSi.Pt/c1-32(2)33-27-28-46-45(29-33)48-41-22-11-10-21-39(41)40-26-25-38(31-44(40)48)51(35-16-6-4-7-17-35,36-18-8-5-9-19-36)37-20-14-15-34(30-37)49-43-24-13-12-23-42(43)47(3)50-49;/h4-29,32H,1-3H3;/q-2;/p+1
• InChIKey: ALIABMOYPGWWQY-UHFFFAOYSA-O
• XLogP: 7.71
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.98
LogP ≤ 5	7.71
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-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum?

The IUPAC name of [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum (CID 162465213) is [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum.

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

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

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

The InChIKey is ALIABMOYPGWWQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C45H36N4OSi.Pt/c1-32(2)33-27-28-46-45(29-33)48-41-22-11-10-21-39(41)40-26-25-38(31-44(40)48)51(35-16-6-4-7-17-35,36-18-8-5-9-19-36)37-20-14-15-34(30-37)49-43-24-13-12-23-42(43)47(3)50-49;/h4-29,32H,1-3H3;/q-2;/p+1.

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

[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum has a molecular weight of 872.98 g/mol, XLogP of 7.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum is sourced from PubChem (CID 162465213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).