2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum

C128H100N9O3Pt3-3 — CID 160555579

About 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum

2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 160555579) has the molecular formula C128H100N9O3Pt3-3 and a molecular weight of 2397.50 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 160555579
• Molecular Formula: C128H100N9O3Pt3-3
• Molecular Weight: 2397.50 g/mol
• Exact Mass: 2395.69
• IUPAC Name: 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)c3ccccc3c2)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)cc3ccccc23)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)c1cccc(C(C)C)c1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc5ccccc5cn4)c4ccccc4c3)cccc21.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C44H36N3O.2C42H32N3O.3Pt/c1-27(2)33-18-11-19-34(28(3)4)43(33)47-40-21-12-20-36(42(40)46-44(47)37-17-9-10-22-41(37)48)32-23-30-14-7-8-16-35(30)38(24-32)39-25-29-13-5-6-15-31(29)26-45-39;1-42(2,3)31-24-35(40-38(25-31)45(32-16-5-4-6-17-32)41(44-40)34-19-11-12-20-39(34)46)30-21-28-14-9-10-18-33(28)36(22-30)37-23-27-13-7-8-15-29(27)26-43-37;1-42(2,3)31-24-36(40-38(25-31)45(32-16-5-4-6-17-32)41(44-40)34-19-11-12-20-39(34)46)35-22-30(21-28-14-9-10-18-33(28)35)37-23-27-13-7-8-15-29(27)26-43-37;;;/h5-23,25-28,48H,1-4H3;2*4-21,23-26,46H,1-3H3;;;/q3*-1
• InChIKey: YVTFYACLPKJPMF-UHFFFAOYSA-N
• XLogP: 32.54
• TPSA: 152.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2397.50
LogP ≤ 5	32.54
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-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum (CID 160555579) is 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)c3ccccc3c2)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4cn3)cc3ccccc23)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)c1cccc(C(C)C)c1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc5ccccc5cn4)c4ccccc4c3)cccc21.[Pt].[Pt].[Pt].

What is the InChIKey of 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is YVTFYACLPKJPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N3O.2C42H32N3O.3Pt/c1-27(2)33-18-11-19-34(28(3)4)43(33)47-40-21-12-20-36(42(40)46-44(47)37-17-9-10-22-41(37)48)32-23-30-14-7-8-16-35(30)38(24-32)39-25-29-13-5-6-15-31(29)26-45-39;1-42(2,3)31-24-35(40-38(25-31)45(32-16-5-4-6-17-32)41(44-40)34-19-11-12-20-39(34)46)30-21-28-14-9-10-18-33(28)36(22-30)37-23-27-13-7-8-15-29(27)26-43-37;1-42(2,3)31-24-36(40-38(25-31)45(32-16-5-4-6-17-32)41(44-40)34-19-11-12-20-39(34)46)35-22-30(21-28-14-9-10-18-33(28)35)37-23-27-13-7-8-15-29(27)26-43-37;;;/h5-23,25-28,48H,1-4H3;2*4-21,23-26,46H,1-3H3;;;/q3*-1;;;.

What are the key properties of 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum?

2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 2397.50 g/mol, XLogP of 32.54, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-tert-butyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[6-tert-butyl-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-(4-isoquinolin-3-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 160555579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).