2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

C24H16N4Pt — CID 58518096

IUPAC2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILES[Pt+2].[c-]1cccc2ccn3cc(CCc4cn5ccc6ccc[c-]c6c5n4)nc3c12
InChIInChI=1S/C24H16N4.Pt/c1-3-7-21-17(5-1)11-13-27-15-19(25-23(21)27)9-10-20-16-28-14-12-18-6-2-4-8-22(18)24(28)26-20;/h1-6,11-16H,9-10H2;/q-2;+2
InChIKeyMAWJCDKAEHUHPH-UHFFFAOYSA-N
MW555.50 g/mol
LogP4.67
Rot. Bonds3

About 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (PubChem CID 58518096) has the molecular formula C24H16N4Pt and a molecular weight of 555.50 g/mol. Its IUPAC name is 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

Molecular Properties

Compound Name2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
PubChem CID58518096
Molecular FormulaC24H16N4Pt
Molecular Weight555.50 g/mol
Exact Mass555.10
IUPAC Name2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILES[Pt+2].[c-]1cccc2ccn3cc(CCc4cn5ccc6ccc[c-]c6c5n4)nc3c12
InChIInChI=1S/C24H16N4.Pt/c1-3-7-21-17(5-1)11-13-27-15-19(25-23(21)27)9-10-20-16-28-14-12-18-6-2-4-8-22(18)24(28)26-20;/h1-6,11-16H,9-10H2;/q-2;+2
InChIKeyMAWJCDKAEHUHPH-UHFFFAOYSA-N
XLogP4.67
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The IUPAC name of 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (CID 58518096) is 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).
What is the SMILES notation for 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The canonical SMILES for 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is [Pt+2].[c-]1cccc2ccn3cc(CCc4cn5ccc6ccc[c-]c6c5n4)nc3c12.
What is the InChIKey of 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The InChIKey is MAWJCDKAEHUHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4.Pt/c1-3-7-21-17(5-1)11-13-27-15-19(25-23(21)27)9-10-20-16-28-14-12-18-6-2-4-8-22(18)24(28)26-20;/h1-6,11-16H,9-10H2;/q-2;+2.
What are the key properties of 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) has a molecular weight of 555.50 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is sourced from PubChem (CID 58518096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).