2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C56H48N3OPt- — CID 153476737

About 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153476737) has the molecular formula C56H48N3OPt- and a molecular weight of 974.10 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153476737
• Molecular Formula: C56H48N3OPt-
• Molecular Weight: 974.10 g/mol
• Exact Mass: 973.35
• IUPAC Name: 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccc(-c3ccccc3)cc2C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C56H48N3O.Pt/c1-55(2,3)45-33-43(32-44(34-45)49-36-42(30-31-57-49)40-26-24-39(25-27-40)37-16-9-7-10-17-37)46-21-15-22-51-53(46)58-54(47-20-13-14-23-52(47)60)59(51)50-29-28-41(35-48(50)56(4,5)6)38-18-11-8-12-19-38;/h7-31,33-36,60H,1-6H3;/q-1
• InChIKey: BYIZDXKQALJFDD-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.10
LogP ≤ 5	14.52
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-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153476737) is 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccc(-c3ccccc3)cc2C(C)(C)C)c1.[Pt].

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

The InChIKey is BYIZDXKQALJFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N3O.Pt/c1-55(2,3)45-33-43(32-44(34-45)49-36-42(30-31-57-49)40-26-24-39(25-27-40)37-16-9-7-10-17-37)46-21-15-22-51-53(46)58-54(47-20-13-14-23-52(47)60)59(51)50-29-28-41(35-48(50)56(4,5)6)38-18-11-8-12-19-38;/h7-31,33-36,60H,1-6H3;/q-1;.

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

2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 974.10 g/mol, XLogP of 14.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153476737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).