2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C62H42N3O2Pt- — CID 164743280

About 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164743280) has the molecular formula C62H42N3O2Pt- and a molecular weight of 1056.12 g/mol. Its IUPAC name is 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164743280
• Molecular Formula: C62H42N3O2Pt-
• Molecular Weight: 1056.12 g/mol
• Exact Mass: 1055.29
• IUPAC Name: 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(c1ccccc1)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc(-c4ccccc4)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C62H42N3O2.Pt/c1-40(41-16-5-2-6-17-41)42-28-30-44(31-29-42)46-34-35-63-54(39-46)49-37-47(43-18-7-3-8-19-43)36-48(38-49)50-24-15-25-56-60(50)64-62(52-22-11-13-26-57(52)66)65(56)55-33-32-51(45-20-9-4-10-21-45)61-59(55)53-23-12-14-27-58(53)67-61;/h2-37,39-40,66H,1H3;/q-1
• InChIKey: FPYCLADTODEHBP-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.12
LogP ≤ 5	15.98
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-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164743280) is 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(c1ccccc1)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc(-c4ccccc4)c3)c2)cc1.[Pt].

What is the InChIKey of 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is FPYCLADTODEHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N3O2.Pt/c1-40(41-16-5-2-6-17-41)42-28-30-44(31-29-42)46-34-35-63-54(39-46)49-37-47(43-18-7-3-8-19-43)36-48(38-49)50-24-15-25-56-60(50)64-62(52-22-11-13-26-57(52)66)65(56)55-33-32-51(45-20-9-4-10-21-45)61-59(55)53-23-12-14-27-58(53)67-61;/h2-37,39-40,66H,1H3;/q-1;.

What are the key properties of 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1056.12 g/mol, XLogP of 15.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164743280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).