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

C45H37N4OPtSi- — CID 162465435

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

[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum (PubChem CID 162465435) has the molecular formula C45H37N4OPtSi- and a molecular weight of 872.98 g/mol. Its IUPAC name is [9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum.

Molecular Properties

• Compound Name: [9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
• PubChem CID: 162465435
• Molecular Formula: C45H37N4OPtSi-
• Molecular Weight: 872.98 g/mol
• Exact Mass: 872.24
• IUPAC Name: [9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
• SMILES: Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c([Si](C)(C)c4[c-]c(N5[OH+]N(c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C45H36N4OSi.Pt/c1-31-14-12-15-32(2)45(31)33-26-27-46-44(28-33)47-40-21-9-8-20-38(40)39-25-24-37(30-43(39)47)51(3,4)36-19-13-18-35(29-36)49-42-23-11-10-22-41(42)48(50-49)34-16-6-5-7-17-34;/h5-28H,1-4H3;/q-2;/p+1
• InChIKey: LILGWMWRQHFELY-UHFFFAOYSA-O
• XLogP: 10.01
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.98
LogP ≤ 5	10.01
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-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum?

The IUPAC name of [9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum (CID 162465435) is [9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum.

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

The canonical SMILES for [9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum is Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c([Si](C)(C)c4[c-]c(N5[OH+]N(c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is LILGWMWRQHFELY-UHFFFAOYSA-O. The full InChI is InChI=1S/C45H36N4OSi.Pt/c1-31-14-12-15-32(2)45(31)33-26-27-46-44(28-33)47-40-21-9-8-20-38(40)39-25-24-37(30-43(39)47)51(3,4)36-19-13-18-35(29-36)49-42-23-11-10-22-41(42)48(50-49)34-16-6-5-7-17-34;/h5-28H,1-4H3;/q-2;/p+1.

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

[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum has a molecular weight of 872.98 g/mol, XLogP of 10.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum is sourced from PubChem (CID 162465435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).