2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum

C205H181N15O4Pt4S-4 — CID 158856865

About 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 158856865) has the molecular formula C205H181N15O4Pt4S-4 and a molecular weight of 3731.18 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 158856865
• Molecular Formula: C205H181N15O4Pt4S-4
• Molecular Weight: 3731.18 g/mol
• Exact Mass: 3728.28
• IUPAC Name: 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4cc5ccccc5c(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4cc5ccccc5c(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4nc(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)cc5ccccc45)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3nc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)cc4ccccc34)cccc21.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/2C54H47N4O.C49H45N4O.C48H42N3OS.4Pt/c1-53(2,3)38-34-45(51(59)46(35-38)54(4,5)6)52-56-50-44(30-19-31-48(50)58(52)41-26-14-9-15-27-41)47-33-36-20-16-17-29-43(36)49(55-47)37-21-18-28-42(32-37)57(39-22-10-7-11-23-39)40-24-12-8-13-25-40;1-53(2,3)38-34-45(51(59)46(35-38)54(4,5)6)52-56-50-44(30-19-31-48(50)58(52)41-26-14-9-15-27-41)49-43-29-17-16-20-36(43)33-47(55-49)37-21-18-28-42(32-37)57(39-22-10-7-11-23-39)40-24-12-8-13-25-40;1-48(2,3)34-30-40(46(54)41(31-34)49(4,5)6)47-51-45-39(26-17-27-43(45)52(47)7)44-38-25-15-14-18-32(38)29-42(50-44)33-19-16-24-37(28-33)53(35-20-10-8-11-21-35)36-22-12-9-13-23-36;1-47(2,3)33-29-39(45(52)40(30-33)48(4,5)6)46-50-44-38(25-16-26-42(44)53-46)41-28-31-17-13-14-24-37(31)43(49-41)32-18-15-23-36(27-32)51(34-19-9-7-10-20-34)35-21-11-8-12-22-35;;;;/h2*7-20,22-35,59H,1-6H3;8-18,20-31,54H,1-7H3;7-17,19-30,52H,1-6H3;;;;/q4*-1
• InChIKey: SNNKWVHGRKDSQR-UHFFFAOYSA-N
• XLogP: 54.39
• TPSA: 211.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3731.18
LogP ≤ 5	54.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum (CID 158856865) is 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4cc5ccccc5c(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4cc5ccccc5c(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)n4)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4nc(-c5[c-]ccc(N(c6ccccc6)c6ccccc6)c5)cc5ccccc45)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3nc(-c4[c-]ccc(N(c5ccccc5)c5ccccc5)c4)cc4ccccc34)cccc21.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is SNNKWVHGRKDSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H47N4O.C49H45N4O.C48H42N3OS.4Pt/c1-53(2,3)38-34-45(51(59)46(35-38)54(4,5)6)52-56-50-44(30-19-31-48(50)58(52)41-26-14-9-15-27-41)47-33-36-20-16-17-29-43(36)49(55-47)37-21-18-28-42(32-37)57(39-22-10-7-11-23-39)40-24-12-8-13-25-40;1-53(2,3)38-34-45(51(59)46(35-38)54(4,5)6)52-56-50-44(30-19-31-48(50)58(52)41-26-14-9-15-27-41)49-43-29-17-16-20-36(43)33-47(55-49)37-21-18-28-42(32-37)57(39-22-10-7-11-23-39)40-24-12-8-13-25-40;1-48(2,3)34-30-40(46(54)41(31-34)49(4,5)6)47-51-45-39(26-17-27-43(45)52(47)7)44-38-25-15-14-18-32(38)29-42(50-44)33-19-16-24-37(28-33)53(35-20-10-8-11-21-35)36-22-12-9-13-23-36;1-47(2,3)33-29-39(45(52)40(30-33)48(4,5)6)46-50-44-38(25-16-26-42(44)53-46)41-28-31-17-13-14-24-37(31)43(49-41)32-18-15-23-36(27-32)51(34-19-9-7-10-20-34)35-21-11-8-12-22-35;;;;/h2*7-20,22-35,59H,1-6H3;8-18,20-31,54H,1-7H3;7-17,19-30,52H,1-6H3;;;;/q4*-1;;;;.

What are the key properties of 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 3731.18 g/mol, XLogP of 54.39, 26 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 158856865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).