benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+))

C166H110N12Pt6 — CID 161288351

About benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+))

benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+)) (PubChem CID 161288351) has the molecular formula C166H110N12Pt6 and a molecular weight of 3443.26 g/mol. Its IUPAC name is benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+)).

Molecular Properties

• Compound Name: benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+))
• PubChem CID: 161288351
• Molecular Formula: C166H110N12Pt6
• Molecular Weight: 3443.26 g/mol
• Exact Mass: 3440.69
• IUPAC Name: benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+))
• SMILES: Cc1c(-c2cc3ccccc3cn2)[c-]c(-c2ccccn2)cc1-c1cc(-c2ccccn2)[c-]c(-c2cc3ccccc3cn2)c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2cc(-c3ccccn3)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1c(-c2nccc3ccccc23)cc(-c2cc(-c3nccc4ccccc34)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
• InChI: InChI=1S/C48H28N4.C42H28N4.C40H24N4.6C6H5.6Pt/c1-5-13-41-31(9-1)17-21-49-45(41)37-25-35(26-38(29-37)46-42-14-6-2-10-32(42)18-22-50-46)36-27-39(47-43-15-7-3-11-33(43)19-23-51-47)30-40(28-36)48-44-16-8-4-12-34(44)20-24-52-48;1-27-35(19-33(39-15-7-9-17-43-39)21-37(27)41-23-29-11-3-5-13-31(29)25-45-41)36-20-34(40-16-8-10-18-44-40)22-38(28(36)2)42-24-30-12-4-6-14-32(30)26-46-42;1-3-11-35-27(9-1)15-19-43-39(35)33-23-29(21-31(25-33)37-13-5-7-17-41-37)30-22-32(38-14-6-8-18-42-38)26-34(24-30)40-36-12-4-2-10-28(36)16-20-44-40;6*1-2-4-6-5-3-1;;;;;;/h1-28H;3-20,23-26H,1-2H3;1-24H;6*1-5H;;;;;;/q3*-2;6*-1;6*+2
• InChIKey: SQRJNDVHZRJZCE-UHFFFAOYSA-N
• XLogP: 40.35
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3443.26
LogP ≤ 5	40.35
H-Bond Donors ≤ 5	0
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 benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+))?

The IUPAC name of benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+)) (CID 161288351) is benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+)).

What is the SMILES notation for benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+))?

The canonical SMILES for benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+)) is Cc1c(-c2cc3ccccc3cn2)[c-]c(-c2ccccn2)cc1-c1cc(-c2ccccn2)[c-]c(-c2cc3ccccc3cn2)c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2cc(-c3ccccn3)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1c(-c2nccc3ccccc23)cc(-c2cc(-c3nccc4ccccc34)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.

What is the InChIKey of benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+))?

The InChIKey is SQRJNDVHZRJZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4.C42H28N4.C40H24N4.6C6H5.6Pt/c1-5-13-41-31(9-1)17-21-49-45(41)37-25-35(26-38(29-37)46-42-14-6-2-10-32(42)18-22-50-46)36-27-39(47-43-15-7-3-11-33(43)19-23-51-47)30-40(28-36)48-44-16-8-4-12-34(44)20-24-52-48;1-27-35(19-33(39-15-7-9-17-43-39)21-37(27)41-23-29-11-3-5-13-31(29)25-45-41)36-20-34(40-16-8-10-18-44-40)22-38(28(36)2)42-24-30-12-4-6-14-32(30)26-46-42;1-3-11-35-27(9-1)15-19-43-39(35)33-23-29(21-31(25-33)37-13-5-7-17-41-37)30-22-32(38-14-6-8-18-42-38)26-34(24-30)40-36-12-4-2-10-28(36)16-20-44-40;6*1-2-4-6-5-3-1;;;;;;/h1-28H;3-20,23-26H,1-2H3;1-24H;6*1-5H;;;;;;/q3*-2;6*-1;6*+2.

What are the key properties of benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+))?

benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+)) has a molecular weight of 3443.26 g/mol, XLogP of 40.35, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;3-[3-(3-isoquinolin-3-yl-2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;hexakis(platinum(2+)) is sourced from PubChem (CID 161288351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).