2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

C47H46N3OPt- — CID 164742580

About 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 164742580) has the molecular formula C47H46N3OPt- and a molecular weight of 863.98 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164742580
• Molecular Formula: C47H46N3OPt-
• Molecular Weight: 863.98 g/mol
• Exact Mass: 863.33
• IUPAC Name: 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)ccc4)ccc(C(C)(C)c4ccccc4)c3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C47H46N3O.Pt/c1-45(2,3)34-29-37(43(51)39(30-34)46(4,5)6)44-49-41-36(31-18-17-19-32(28-31)40-24-15-16-27-48-40)25-26-38(47(7,8)33-20-11-9-12-21-33)42(41)50(44)35-22-13-10-14-23-35;/h9-27,29-30,51H,1-8H3;/q-1
• InChIKey: FQHBMKWCLXMSMV-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.98
LogP ≤ 5	11.85
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-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 164742580) is 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)ccc4)ccc(C(C)(C)c4ccccc4)c3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is FQHBMKWCLXMSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46N3O.Pt/c1-45(2,3)34-29-37(43(51)39(30-34)46(4,5)6)44-49-41-36(31-18-17-19-32(28-31)40-24-15-16-27-48-40)25-26-38(47(7,8)33-20-11-9-12-21-33)42(41)50(44)35-22-13-10-14-23-35;/h9-27,29-30,51H,1-8H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 863.98 g/mol, XLogP of 11.85, 6 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-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).