2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum

C165H168N9O3Pt3-3 — CID 159393424

About 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 159393424) has the molecular formula C165H168N9O3Pt3-3 and a molecular weight of 2910.45 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 159393424
• Molecular Formula: C165H168N9O3Pt3-3
• Molecular Weight: 2910.45 g/mol
• Exact Mass: 2908.22
• IUPAC Name: 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc5ccccc5cn4)cc(C(C)(C)C)c3)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccc5ccccc5n4)cc(C(C)(C)C)c3)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4nccc5ccccc45)cc(C(C)(C)C)c3)cccc21.[Pt].[Pt].[Pt]
• InChI: InChI=1S/3C55H56N3O.3Pt/c1-34(2)43-31-37(35-18-13-12-14-19-35)25-27-48(43)58-49-23-17-21-42(50(49)57-52(58)44-32-41(54(6,7)8)33-45(51(44)59)55(9,10)11)38-28-39(30-40(29-38)53(3,4)5)47-26-24-36-20-15-16-22-46(36)56-47;1-34(2)44-29-37(35-18-13-12-14-19-35)24-25-48(44)58-49-23-17-22-43(50(49)57-52(58)45-31-42(54(6,7)8)32-46(51(45)59)55(9,10)11)39-26-40(28-41(27-39)53(3,4)5)47-30-36-20-15-16-21-38(36)33-56-47;1-34(2)44-31-37(35-18-13-12-14-19-35)24-25-47(44)58-48-23-17-22-43(50(48)57-52(58)45-32-41(54(6,7)8)33-46(51(45)59)55(9,10)11)38-28-39(30-40(29-38)53(3,4)5)49-42-21-16-15-20-36(42)26-27-56-49;;;/h12-27,29-34,59H,1-11H3;12-25,27-34,59H,1-11H3;12-27,29-34,59H,1-11H3;;;/q3*-1
• InChIKey: KYIXUHKQBITUCB-UHFFFAOYSA-N
• XLogP: 44.28
• TPSA: 152.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2910.45
LogP ≤ 5	44.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum (CID 159393424) is 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc5ccccc5cn4)cc(C(C)(C)C)c3)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccc5ccccc5n4)cc(C(C)(C)C)c3)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4nccc5ccccc45)cc(C(C)(C)C)c3)cccc21.[Pt].[Pt].[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is KYIXUHKQBITUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H56N3O.3Pt/c1-34(2)43-31-37(35-18-13-12-14-19-35)25-27-48(43)58-49-23-17-21-42(50(49)57-52(58)44-32-41(54(6,7)8)33-45(51(44)59)55(9,10)11)38-28-39(30-40(29-38)53(3,4)5)47-26-24-36-20-15-16-22-46(36)56-47;1-34(2)44-29-37(35-18-13-12-14-19-35)24-25-48(44)58-49-23-17-22-43(50(49)57-52(58)45-31-42(54(6,7)8)32-46(51(45)59)55(9,10)11)39-26-40(28-41(27-39)53(3,4)5)47-30-36-20-15-16-21-38(36)33-56-47;1-34(2)44-31-37(35-18-13-12-14-19-35)24-25-47(44)58-48-23-17-22-43(50(48)57-52(58)45-32-41(54(6,7)8)33-46(51(45)59)55(9,10)11)38-28-39(30-40(29-38)53(3,4)5)49-42-21-16-15-20-36(42)26-27-56-49;;;/h12-27,29-34,59H,1-11H3;12-25,27-34,59H,1-11H3;12-27,29-34,59H,1-11H3;;;/q3*-1;;;.

What are the key properties of 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 2910.45 g/mol, XLogP of 44.28, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-tert-butyl-5-quinolin-2-ylbenzene-6-id-1-yl)-1-(4-phenyl-2-propan-2-ylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 159393424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).