2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C51H36N3OPt- — CID 162783518

About 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 162783518) has the molecular formula C51H36N3OPt- and a molecular weight of 901.95 g/mol. Its IUPAC name is 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783518
• Molecular Formula: C51H36N3OPt-
• Molecular Weight: 901.95 g/mol
• Exact Mass: 901.25
• IUPAC Name: 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3-c3ccccc3)[c-]c(-c3cc(-c4ccccc4)ccn3)c21.[Pt]
• InChI: InChI=1S/C51H36N3O.Pt/c1-51(2)43-24-12-9-21-39(43)41-30-36(31-42(48(41)51)44-32-35(28-29-52-44)33-16-5-3-6-17-33)38-23-15-26-46-49(38)53-50(40-22-11-14-27-47(40)55)54(46)45-25-13-10-20-37(45)34-18-7-4-8-19-34;/h3-30,32,55H,1-2H3;/q-1
• InChIKey: NJTCVRBBPMFWDS-UHFFFAOYSA-N
• XLogP: 12.57
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.95
LogP ≤ 5	12.57
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-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 162783518) is 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC1(C)c2ccccc2-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3-c3ccccc3)[c-]c(-c3cc(-c4ccccc4)ccn3)c21.[Pt].

What is the InChIKey of 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is NJTCVRBBPMFWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N3O.Pt/c1-51(2)43-24-12-9-21-39(43)41-30-36(31-42(48(41)51)44-32-35(28-29-52-44)33-16-5-3-6-17-33)38-23-15-26-46-49(38)53-50(40-22-11-14-27-47(40)55)54(46)45-25-13-10-20-37(45)34-18-7-4-8-19-34;/h3-30,32,55H,1-2H3;/q-1;.

What are the key properties of 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 901.95 g/mol, XLogP of 12.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).