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

C51H41N4OPtSi- — CID 162465254

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

[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum (PubChem CID 162465254) has the molecular formula C51H41N4OPtSi- and a molecular weight of 949.08 g/mol. Its IUPAC name is [9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[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-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum
• PubChem CID: 162465254
• Molecular Formula: C51H41N4OPtSi-
• Molecular Weight: 949.08 g/mol
• Exact Mass: 948.27
• IUPAC Name: [9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum
• SMILES: Cc1ccccc1-c1ccnc(-n2c3[c-]c([Si](c4[c-]c(N5[OH+]N(C(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C51H40N4OSi.Pt/c1-36(2)54-48-27-14-15-28-49(48)55(56-54)39-18-16-23-42(34-39)57(40-19-6-4-7-20-40,41-21-8-5-9-22-41)43-29-30-46-45-25-12-13-26-47(45)53(50(46)35-43)51-33-38(31-32-52-51)44-24-11-10-17-37(44)3;/h4-33,36H,1-3H3;/q-2;/p+1
• InChIKey: SQUHCSMTNONGMN-UHFFFAOYSA-O
• XLogP: 9.34
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.08
LogP ≤ 5	9.34
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-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[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-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum (CID 162465254) is [9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[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-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[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-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[3-(3-propan-2-yl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]silane;platinum is Cc1ccccc1-c1ccnc(-n2c3[c-]c([Si](c4[c-]c(N5[OH+]N(C(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt].

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

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

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

[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[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 949.08 g/mol, XLogP of 9.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenyl-[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 162465254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).