9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)

C48H36N4O2Pt — CID 162445687

About 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 162445687) has the molecular formula C48H36N4O2Pt and a molecular weight of 895.92 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 162445687
• Molecular Formula: C48H36N4O2Pt
• Molecular Weight: 895.92 g/mol
• Exact Mass: 895.25
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cccc(C)c1-n1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)c3oc4ccccc4c3c2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C48H36N4O2.Pt/c1-29-13-12-14-30(2)45(29)52-40-19-10-8-17-38(40)50-47(52)31-25-37-36-16-7-11-20-42(36)54-46(37)43(26-31)53-33-21-22-35-34-15-6-9-18-39(34)51(41(35)28-33)44-27-32(23-24-49-44)48(3,4)5;/h6-25,27H,1-5H3;/q-2;+2
• InChIKey: VJSISDKHTVKOIT-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 58.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.92
LogP ≤ 5	12.39
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 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+) (CID 162445687) is 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+) is Cc1cccc(C)c1-n1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)c3oc4ccccc4c3c2)nc2ccccc21.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is VJSISDKHTVKOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O2.Pt/c1-29-13-12-14-30(2)45(29)52-40-19-10-8-17-38(40)50-47(52)31-25-37-36-16-7-11-20-42(36)54-46(37)43(26-31)53-33-21-22-35-34-15-6-9-18-39(34)51(41(35)28-33)44-27-32(23-24-49-44)48(3,4)5;/h6-25,27H,1-5H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 895.92 g/mol, XLogP of 12.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 162445687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).