2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

C45H32N3O2Pt- — CID 162784098

About 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 162784098) has the molecular formula C45H32N3O2Pt- and a molecular weight of 841.85 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-phenylbenzimidazol-2-yl]phenol;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-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 162784098
• Molecular Formula: C45H32N3O2Pt-
• Molecular Weight: 841.85 g/mol
• Exact Mass: 841.21
• IUPAC Name: 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(c1ccccc1)c1cc(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccccc2)[c-]c(-c2nccc3oc4ccccc4c23)c1.[Pt]
• InChI: InChI=1S/C45H32N3O2.Pt/c1-45(2,31-14-5-3-6-15-31)32-27-29(26-30(28-32)42-41-36-19-10-12-23-39(36)50-40(41)24-25-46-42)34-20-13-21-37-43(34)47-44(35-18-9-11-22-38(35)49)48(37)33-16-7-4-8-17-33;/h3-25,27-28,49H,1-2H3;/q-1
• InChIKey: PGLVJHXZSKUUCI-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.85
LogP ≤ 5	11.15
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-phenylbenzimidazol-2-yl]phenol;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-phenylbenzimidazol-2-yl]phenol;platinum (CID 162784098) is 2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;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-phenylbenzimidazol-2-yl]phenol;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-phenylbenzimidazol-2-yl]phenol;platinum is CC(C)(c1ccccc1)c1cc(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccccc2)[c-]c(-c2nccc3oc4ccccc4c23)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-phenylbenzimidazol-2-yl]phenol;platinum?

The InChIKey is PGLVJHXZSKUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N3O2.Pt/c1-45(2,31-14-5-3-6-15-31)32-27-29(26-30(28-32)42-41-36-19-10-12-23-39(36)50-40(41)24-25-46-42)34-20-13-21-37-43(34)47-44(35-18-9-11-22-38(35)49)48(37)33-16-7-4-8-17-33;/h3-25,27-28,49H,1-2H3;/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-phenylbenzimidazol-2-yl]phenol;platinum?

2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 841.85 g/mol, XLogP of 11.15, 6 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-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162784098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).