2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum

C110H90N11O4Pt3S-3 — CID 158157599

About 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum

2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum (PubChem CID 158157599) has the molecular formula C110H90N11O4Pt3S-3 and a molecular weight of 2247.30 g/mol. Its IUPAC name is 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum
• PubChem CID: 158157599
• Molecular Formula: C110H90N11O4Pt3S-3
• Molecular Weight: 2247.30 g/mol
• Exact Mass: 2245.59
• IUPAC Name: 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccn[n-]4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5o4)cccc3n2-c2ccccc2)c1.Cc1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5s4)cccc3n2-c2ccccc2)c1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C38H30N3O2.C37H36N5O.C35H24N3OS.3Pt/c1-38(2,3)27-20-21-33(42)26(22-27)24-39-31-17-9-8-15-29(31)37-40-36-30(35-23-25-12-7-10-19-34(25)43-35)16-11-18-32(36)41(37)28-13-5-4-6-14-28;1-36(2,3)25-21-24(34(43)29(22-25)37(4,5)6)23-38-30-17-11-10-15-28(30)35-40-33-27(31-19-20-39-41-31)16-12-18-32(33)42(35)26-13-8-7-9-14-26;1-23-18-19-31(39)25(20-23)22-36-29-15-7-6-13-27(29)35-37-34-28(33-21-24-10-5-8-17-32(24)40-33)14-9-16-30(34)38(35)26-11-3-2-4-12-26;;;/h4-22,24,42H,1-3H3;7-23H,1-6H3,(H-,38,39,40,41,43);2-20,22,39H,1H3;;;/q3*-1;;;/b39-24+;;36-22+
• InChIKey: CPZIWDSLYXCWJD-KAJNGHDWSA-N
• XLogP: 27.55
• TPSA: 191.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2247.30
LogP ≤ 5	27.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The IUPAC name of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum (CID 158157599) is 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum.

What is the SMILES notation for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The canonical SMILES for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum is CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4ccn[n-]4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5o4)cccc3n2-c2ccccc2)c1.Cc1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]c5ccccc5s4)cccc3n2-c2ccccc2)c1.[Pt].[Pt].[Pt].

What is the InChIKey of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum?

The InChIKey is CPZIWDSLYXCWJD-KAJNGHDWSA-N. The full InChI is InChI=1S/C38H30N3O2.C37H36N5O.C35H24N3OS.3Pt/c1-38(2,3)27-20-21-33(42)26(22-27)24-39-31-17-9-8-15-29(31)37-40-36-30(35-23-25-12-7-10-19-34(25)43-35)16-11-18-32(36)41(37)28-13-5-4-6-14-28;1-36(2,3)25-21-24(34(43)29(22-25)37(4,5)6)23-38-30-17-11-10-15-28(30)35-40-33-27(31-19-20-39-41-31)16-12-18-32(33)42(35)26-13-8-7-9-14-26;1-23-18-19-31(39)25(20-23)22-36-29-15-7-6-13-27(29)35-37-34-28(33-21-24-10-5-8-17-32(24)40-33)14-9-16-30(34)38(35)26-11-3-2-4-12-26;;;/h4-22,24,42H,1-3H3;7-23H,1-6H3,(H-,38,39,40,41,43);2-20,22,39H,1H3;;;/q3*-1;;;/b39-24+;;36-22+;;;.

What are the key properties of 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum?

2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum has a molecular weight of 2247.30 g/mol, XLogP of 27.55, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]-4-methylphenol;2,4-ditert-butyl-6-[[2-(1-phenyl-4-pyrazol-2-id-3-ylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 158157599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).