3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+)

C47H48BN7OPt — CID 162466980

About 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+)

3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+) (PubChem CID 162466980) has the molecular formula C47H48BN7OPt and a molecular weight of 932.84 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+)
• PubChem CID: 162466980
• Molecular Formula: C47H48BN7OPt
• Molecular Weight: 932.84 g/mol
• Exact Mass: 932.37
• IUPAC Name: 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+)
• SMILES: Cc1cccc(C)c1B1N(c2cc(C(C)(C)C)ccn2)c2[c-]c(Oc3cnc(-c4nccn4-c4c(C(C)C)cccc4C(C)C)[n-]3)ccc2N1c1ccccc1.[Pt+2]
• InChI: InChI=1S/C47H48BN7O.Pt/c1-30(2)37-19-14-20-38(31(3)4)44(37)53-26-25-50-46(53)45-51-29-42(52-45)56-36-21-22-39-40(28-36)55(41-27-34(23-24-49-41)47(7,8)9)48(43-32(5)15-13-16-33(43)6)54(39)35-17-11-10-12-18-35;/h10-27,29-31H,1-9H3;/q-2;+2
• InChIKey: DVSVNKPKTFXCAK-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 73.41 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.84
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+)?

The IUPAC name of 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+) (CID 162466980) is 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+).

What is the SMILES notation for 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+)?

The canonical SMILES for 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+) is Cc1cccc(C)c1B1N(c2cc(C(C)(C)C)ccn2)c2[c-]c(Oc3cnc(-c4nccn4-c4c(C(C)C)cccc4C(C)C)[n-]3)ccc2N1c1ccccc1.[Pt+2].

What is the InChIKey of 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+)?

The InChIKey is DVSVNKPKTFXCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48BN7O.Pt/c1-30(2)37-19-14-20-38(31(3)4)44(37)53-26-25-50-46(53)45-51-29-42(52-45)56-36-21-22-39-40(28-36)55(41-27-34(23-24-49-41)47(7,8)9)48(43-32(5)15-13-16-33(43)6)54(39)35-17-11-10-12-18-35;/h10-27,29-31H,1-9H3;/q-2;+2.

What are the key properties of 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+)?

3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+) has a molecular weight of 932.84 g/mol, XLogP of 10.72, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-5-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]imidazol-3-id-4-yl]oxy-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum(2+) is sourced from PubChem (CID 162466980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).