2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C53H50N3OPt- — CID 164742817

About 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164742817) has the molecular formula C53H50N3OPt- and a molecular weight of 940.08 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164742817
• Molecular Formula: C53H50N3OPt-
• Molecular Weight: 940.08 g/mol
• Exact Mass: 939.36
• IUPAC Name: 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc(-c5ccc(C(C)(C)c6ccccc6)cc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C53H50N3O.Pt/c1-51(2,3)41-33-44(49(57)45(34-41)52(4,5)6)50-55-48-43(22-17-24-47(48)56(50)42-20-13-10-14-21-42)37-30-36(31-38(32-37)46-23-15-16-29-54-46)35-25-27-40(28-26-35)53(7,8)39-18-11-9-12-19-39;/h9-31,33-34,57H,1-8H3;/q-1
• InChIKey: JMVZTURKZDTOBW-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.08
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164742817) is 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc(-c5ccc(C(C)(C)c6ccccc6)cc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is JMVZTURKZDTOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N3O.Pt/c1-51(2,3)41-33-44(49(57)45(34-41)52(4,5)6)50-55-48-43(22-17-24-47(48)56(50)42-20-13-10-14-21-42)37-30-36(31-38(32-37)46-23-15-16-29-54-46)35-25-27-40(28-26-35)53(7,8)39-18-11-9-12-19-39;/h9-31,33-34,57H,1-8H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 940.08 g/mol, XLogP of 13.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).