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

C54H42N3OPt- — CID 162783641

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

2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 162783641) has the molecular formula C54H42N3OPt- and a molecular weight of 944.03 g/mol. Its IUPAC name is 2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783641
• Molecular Formula: C54H42N3OPt-
• Molecular Weight: 944.03 g/mol
• Exact Mass: 943.30
• IUPAC Name: 2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(c1ccccc1)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)c4c(c3)C(C)(C)c3ccccc3-4)c2)cc1.[Pt]
• InChI: InChI=1S/C54H42N3O.Pt/c1-53(2,38-16-7-5-8-17-38)39-28-26-35(27-29-39)36-30-31-55-47(34-36)37-32-44(50-42-20-11-13-23-45(42)54(3,4)46(50)33-37)41-22-15-24-48-51(41)56-52(43-21-12-14-25-49(43)58)57(48)40-18-9-6-10-19-40;/h5-31,33-34,58H,1-4H3;/q-1
• InChIKey: CHVCTYVIEVSZFH-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.03
LogP ≤ 5	13.22
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-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 162783641) is 2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is CC(C)(c1ccccc1)c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)c4c(c3)C(C)(C)c3ccccc3-4)c2)cc1.[Pt].

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

The InChIKey is CHVCTYVIEVSZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N3O.Pt/c1-53(2,38-16-7-5-8-17-38)39-28-26-35(27-29-39)36-30-31-55-47(34-36)37-32-44(50-42-20-11-13-23-45(42)54(3,4)46(50)33-37)41-22-15-24-48-51(41)56-52(43-21-12-14-25-49(43)58)57(48)40-18-9-6-10-19-40;/h5-31,33-34,58H,1-4H3;/q-1;.

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

2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 944.03 g/mol, XLogP of 13.22, 7 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-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).