2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C60H57BN3OPt- — CID 176796273

About 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 176796273) has the molecular formula C60H57BN3OPt- and a molecular weight of 1042.03 g/mol. Its IUPAC name is 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 176796273
• Molecular Formula: C60H57BN3OPt-
• Molecular Weight: 1042.03 g/mol
• Exact Mass: 1041.42
• IUPAC Name: 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: Cc1cc(C)c(B(c2cc(-c3[c-]c(-c4nc5ccccc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)ccc3)nc(-c3ccccc3O)c2)c2c(C)cc(C)cc2C)c(C)c1.[Pt]
• InChI: InChI=1S/C60H57BN3O.Pt/c1-36(2)50-32-47(44-19-12-11-13-20-44)33-51(37(3)4)59(50)64-55-25-16-15-24-52(55)63-60(64)46-22-18-21-45(31-46)53-34-48(35-54(62-53)49-23-14-17-26-56(49)65)61(57-40(7)27-38(5)28-41(57)8)58-42(9)29-39(6)30-43(58)10;/h11-30,32-37,65H,1-10H3;/q-1
• InChIKey: GLEVJKCQBNRSGM-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1042.03
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 176796273) is 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is Cc1cc(C)c(B(c2cc(-c3[c-]c(-c4nc5ccccc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)ccc3)nc(-c3ccccc3O)c2)c2c(C)cc(C)cc2C)c(C)c1.[Pt].

What is the InChIKey of 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is GLEVJKCQBNRSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H57BN3O.Pt/c1-36(2)50-32-47(44-19-12-11-13-20-44)33-51(37(3)4)59(50)64-55-25-16-15-24-52(55)63-60(64)46-22-18-21-45(31-46)53-34-48(35-54(62-53)49-23-14-17-26-56(49)65)61(57-40(7)27-38(5)28-41(57)8)58-42(9)29-39(6)30-43(58)10;/h11-30,32-37,65H,1-10H3;/q-1;.

What are the key properties of 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 1042.03 g/mol, XLogP of 13.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 176796273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).