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

C51H36N3OPt- — CID 162782778

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

2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 162782778) has the molecular formula C51H36N3OPt- and a molecular weight of 901.95 g/mol. Its IUPAC name is 2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 162782778
• Molecular Formula: C51H36N3OPt-
• Molecular Weight: 901.95 g/mol
• Exact Mass: 901.25
• IUPAC Name: 2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c21.[Pt]
• InChI: InChI=1S/C51H36N3O.Pt/c1-51(2)44-21-11-9-18-39(44)42-30-37(45-32-36(28-29-52-45)35-26-24-34(25-27-35)33-14-5-3-6-15-33)31-43(48(42)51)40-20-13-22-46-49(40)53-50(41-19-10-12-23-47(41)55)54(46)38-16-7-4-8-17-38;/h3-30,32,55H,1-2H3;/q-1
• InChIKey: ZGUBEBSFNRVOFK-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-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 162782778) is 2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c21.[Pt].

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

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

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

2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-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-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162782778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).