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

C52H34N4Pt2 — CID 21024832

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

benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) (PubChem CID 21024832) has the molecular formula C52H34N4Pt2 and a molecular weight of 1105.03 g/mol. Its IUPAC name is benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)).

Molecular Properties

• Compound Name: benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))
• PubChem CID: 21024832
• Molecular Formula: C52H34N4Pt2
• Molecular Weight: 1105.03 g/mol
• Exact Mass: 1104.21
• IUPAC Name: benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))
• SMILES: [Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2cc(-c3ccccn3)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1.[c-]1ccccc1
• InChI: InChI=1S/C40H24N4.2C6H5.2Pt/c1-3-11-35-27(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;2*1-2-4-6-5-3-1;;/h1-24H;2*1-5H;;/q-2;2*-1;2*+2
• InChIKey: RNKGCUUZKCVWMC-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.03
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))?

The IUPAC name of benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) (CID 21024832) is benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)).

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

The canonical SMILES for benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) is [Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2cc(-c3ccccn3)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1.[c-]1ccccc1.

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

The InChIKey is RNKGCUUZKCVWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4.2C6H5.2Pt/c1-3-11-35-27(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;2*1-2-4-6-5-3-1;;/h1-24H;2*1-5H;;/q-2;2*-1;2*+2.

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

benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) has a molecular weight of 1105.03 g/mol, XLogP of 12.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1-[3-(3-isoquinolin-1-yl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) is sourced from PubChem (CID 21024832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).