2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum

C59H52N3O2Pt- — CID 162783971

About 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum

2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (PubChem CID 162783971) has the molecular formula C59H52N3O2Pt- and a molecular weight of 1030.16 g/mol. Its IUPAC name is 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
• PubChem CID: 162783971
• Molecular Formula: C59H52N3O2Pt-
• Molecular Weight: 1030.16 g/mol
• Exact Mass: 1029.37
• IUPAC Name: 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6oc7ccccc7c56)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C59H52N3O2.Pt/c1-57(2,3)41-35-46(55(63)47(36-41)58(4,5)6)56-61-54-44(26-19-28-49(54)62(56)48-27-17-15-24-43(48)37-20-11-9-12-21-37)38-32-39(34-42(33-38)59(7,8)40-22-13-10-14-23-40)53-52-45-25-16-18-29-50(45)64-51(52)30-31-60-53;/h9-31,33-36,63H,1-8H3;/q-1
• InChIKey: FCYVYCPHFXHOCR-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.16
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The IUPAC name of 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (CID 162783971) is 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.

What is the SMILES notation for 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The canonical SMILES for 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6oc7ccccc7c56)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The InChIKey is FCYVYCPHFXHOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52N3O2.Pt/c1-57(2,3)41-35-46(55(63)47(36-41)58(4,5)6)56-61-54-44(26-19-28-49(54)62(56)48-27-17-15-24-43(48)37-20-11-9-12-21-37)38-32-39(34-42(33-38)59(7,8)40-22-13-10-14-23-40)53-52-45-25-16-18-29-50(45)64-51(52)30-31-60-53;/h9-31,33-36,63H,1-8H3;/q-1;.

What are the key properties of 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum has a molecular weight of 1030.16 g/mol, XLogP of 15.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum is sourced from PubChem (CID 162783971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).