3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum

C16H17N2Pt- — CID 58518000

IUPAC3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
SMILESCc1cn2c(C(C)(C)C)cnc2c2[c-]cccc12.[Pt]
InChIInChI=1S/C16H17N2.Pt/c1-11-10-18-14(16(2,3)4)9-17-15(18)13-8-6-5-7-12(11)13;/h5-7,9-10H,1-4H3;/q-1;
InChIKeyAFRLYHIPDVWLBB-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.89
Rot. Bonds

About 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum

3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum (PubChem CID 58518000) has the molecular formula C16H17N2Pt- and a molecular weight of 432.40 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
PubChem CID58518000
Molecular FormulaC16H17N2Pt-
Molecular Weight432.40 g/mol
Exact Mass432.10
IUPAC Name3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
SMILESCc1cn2c(C(C)(C)C)cnc2c2[c-]cccc12.[Pt]
InChIInChI=1S/C16H17N2.Pt/c1-11-10-18-14(16(2,3)4)9-17-15(18)13-8-6-5-7-12(11)13;/h5-7,9-10H,1-4H3;/q-1;
InChIKeyAFRLYHIPDVWLBB-UHFFFAOYSA-N
XLogP3.89
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum?
The IUPAC name of 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum (CID 58518000) is 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum.
What is the SMILES notation for 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum?
The canonical SMILES for 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum is Cc1cn2c(C(C)(C)C)cnc2c2[c-]cccc12.[Pt].
What is the InChIKey of 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum?
The InChIKey is AFRLYHIPDVWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N2.Pt/c1-11-10-18-14(16(2,3)4)9-17-15(18)13-8-6-5-7-12(11)13;/h5-7,9-10H,1-4H3;/q-1;.
What are the key properties of 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum?
3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum has a molecular weight of 432.40 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum is sourced from PubChem (CID 58518000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).