4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum

C50H33FN3O2Pt- — CID 164742165

About 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum

4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (PubChem CID 164742165) has the molecular formula C50H33FN3O2Pt- and a molecular weight of 921.91 g/mol. Its IUPAC name is 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 164742165
• Molecular Formula: C50H33FN3O2Pt-
• Molecular Weight: 921.91 g/mol
• Exact Mass: 921.22
• IUPAC Name: 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
• SMILES: Cn1c(-c2cc(-c3cccc(Cc4ccccc4)c3)ccc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(F)cc5)ccn4)cc4c3oc3ccccc34)cccc21.[Pt]
• InChI: InChI=1S/C50H33FN3O2.Pt/c1-54-45-15-8-14-40(48(45)53-50(54)43-27-35(19-22-46(43)55)34-12-7-11-32(26-34)25-31-9-3-2-4-10-31)42-29-37(28-41-39-13-5-6-16-47(39)56-49(41)42)44-30-36(23-24-52-44)33-17-20-38(51)21-18-33;/h2-24,26-28,30,55H,25H2,1H3;/q-1
• InChIKey: WMUGDIKWEUYQRX-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.91
LogP ≤ 5	12.44
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 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (CID 164742165) is 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is Cn1c(-c2cc(-c3cccc(Cc4ccccc4)c3)ccc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(F)cc5)ccn4)cc4c3oc3ccccc34)cccc21.[Pt].

What is the InChIKey of 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The InChIKey is WMUGDIKWEUYQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33FN3O2.Pt/c1-54-45-15-8-14-40(48(45)53-50(54)43-27-35(19-22-46(43)55)34-12-7-11-32(26-34)25-31-9-3-2-4-10-31)42-29-37(28-41-39-13-5-6-16-47(39)56-49(41)42)44-30-36(23-24-52-44)33-17-20-38(51)21-18-33;/h2-24,26-28,30,55H,25H2,1H3;/q-1;.

What are the key properties of 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 921.91 g/mol, XLogP of 12.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).