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

C45H32N3OPt- — CID 162783991

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

2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 162783991) has the molecular formula C45H32N3OPt- and a molecular weight of 825.85 g/mol. Its IUPAC name is 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-phenylbenzimidazol-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-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783991
• Molecular Formula: C45H32N3OPt-
• Molecular Weight: 825.85 g/mol
• Exact Mass: 825.22
• IUPAC Name: 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)[c-]c(-c3cc(-c4ccccc4)ccn3)c21.[Pt]
• InChI: InChI=1S/C45H32N3O.Pt/c1-45(2)38-21-11-9-18-34(38)36-26-31(27-37(42(36)45)39-28-30(24-25-46-39)29-14-5-3-6-15-29)33-20-13-22-40-43(33)47-44(35-19-10-12-23-41(35)49)48(40)32-16-7-4-8-17-32;/h3-26,28,49H,1-2H3;/q-1
• InChIKey: ATUNIGPETZSGFW-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.85
LogP ≤ 5	10.90
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-phenylbenzimidazol-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-phenylbenzimidazol-2-yl]phenol;platinum (CID 162783991) is 2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-phenylbenzimidazol-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-phenylbenzimidazol-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-phenylbenzimidazol-2-yl]phenol;platinum is CC1(C)c2ccccc2-c2cc(-c3cccc4c3nc(-c3ccccc3O)n4-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-phenylbenzimidazol-2-yl]phenol;platinum?

The InChIKey is ATUNIGPETZSGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N3O.Pt/c1-45(2)38-21-11-9-18-34(38)36-26-31(27-37(42(36)45)39-28-30(24-25-46-39)29-14-5-3-6-15-29)33-20-13-22-40-43(33)47-44(35-19-10-12-23-41(35)49)48(40)32-16-7-4-8-17-32;/h3-26,28,49H,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-phenylbenzimidazol-2-yl]phenol;platinum?

2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 825.85 g/mol, XLogP of 10.90, 5 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-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).