5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)

C52H37N5OPt — CID 169289191

About 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)

5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+) (PubChem CID 169289191) has the molecular formula C52H37N5OPt and a molecular weight of 942.98 g/mol. Its IUPAC name is 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)
• PubChem CID: 169289191
• Molecular Formula: C52H37N5OPt
• Molecular Weight: 942.98 g/mol
• Exact Mass: 942.26
• IUPAC Name: 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5c6ccccc6n6c7ccccc7nc56)ccc4)c(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C52H37N5O.Pt/c1-52(2,3)37-27-28-53-50(30-37)56-44-26-25-36(34-15-6-4-7-16-34)29-41(44)42-32-40(35-17-8-5-9-18-35)49(33-48(42)56)58-39-20-14-19-38(31-39)55-46-23-12-13-24-47(46)57-45-22-11-10-21-43(45)54-51(55)57;/h4-30,32H,1-3H3;/q-2;+2
• InChIKey: MUOSVCONQPLHEQ-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 49.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.98
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The IUPAC name of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+) (CID 169289191) is 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+).

What is the SMILES notation for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The canonical SMILES for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5c6ccccc6n6c7ccccc7nc56)ccc4)c(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1.[Pt+2].

What is the InChIKey of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The InChIKey is MUOSVCONQPLHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5O.Pt/c1-52(2,3)37-27-28-53-50(30-37)56-44-26-25-36(34-15-6-4-7-16-34)29-41(44)42-32-40(35-17-8-5-9-18-35)49(33-48(42)56)58-39-20-14-19-38(31-39)55-46-23-12-13-24-47(46)57-45-22-11-10-21-43(45)54-51(55)57;/h4-30,32H,1-3H3;/q-2;+2.

What are the key properties of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+)?

5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+) has a molecular weight of 942.98 g/mol, XLogP of 12.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazolo[1,2-a]benzimidazole;platinum(2+) is sourced from PubChem (CID 169289191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).