5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

C31H30N4Pt — CID 58517772

IUPAC5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILESCC(C)(C)c1cc2ccc[c-]c2c2nc(Cc3cn4c(C(C)(C)C)cc5ccc[c-]c5c4n3)cn12.[Pt+2]
InChIInChI=1S/C31H30N4.Pt/c1-30(2,3)26-15-20-11-7-9-13-24(20)28-32-22(18-34(26)28)17-23-19-35-27(31(4,5)6)16-21-12-8-10-14-25(21)29(35)33-23;/h7-12,15-16,18-19H,17H2,1-6H3;/q-2;+2
InChIKeyYCOHSLJINHAQHT-UHFFFAOYSA-N
MW653.69 g/mol
LogP7.07
Rot. Bonds2

About 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (PubChem CID 58517772) has the molecular formula C31H30N4Pt and a molecular weight of 653.69 g/mol. Its IUPAC name is 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

Molecular Properties

Compound Name5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
PubChem CID58517772
Molecular FormulaC31H30N4Pt
Molecular Weight653.69 g/mol
Exact Mass653.21
IUPAC Name5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILESCC(C)(C)c1cc2ccc[c-]c2c2nc(Cc3cn4c(C(C)(C)C)cc5ccc[c-]c5c4n3)cn12.[Pt+2]
InChIInChI=1S/C31H30N4.Pt/c1-30(2,3)26-15-20-11-7-9-13-24(20)28-32-22(18-34(26)28)17-23-19-35-27(31(4,5)6)16-21-12-8-10-14-25(21)29(35)33-23;/h7-12,15-16,18-19H,17H2,1-6H3;/q-2;+2
InChIKeyYCOHSLJINHAQHT-UHFFFAOYSA-N
XLogP7.07
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.69
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) with MolForge

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Related Compounds

CID 57759284
CID 57759284
CID 57759350
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CID 57759495
CID 57759495
platinum(2+);(1Z,11Z)-7,7,17,17-tetramethyl-2,4,12,14,21,23-hexaza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,8(23),9,11,13,15,18(21),19-decaene
CID 57759748
CID 57759753
CID 57759753
CID 57759985
CID 57759985
1-Methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)
CID 58162154
CID 58162794
CID 58162794
Dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole
CID 58163117
Bis(1,2-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);platinum(2+)
CID 58401867
5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
CID 58517469
2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
CID 58517648

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The IUPAC name of 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (CID 58517772) is 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).
What is the SMILES notation for 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The canonical SMILES for 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is CC(C)(C)c1cc2ccc[c-]c2c2nc(Cc3cn4c(C(C)(C)C)cc5ccc[c-]c5c4n3)cn12.[Pt+2].
What is the InChIKey of 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The InChIKey is YCOHSLJINHAQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4.Pt/c1-30(2,3)26-15-20-11-7-9-13-24(20)28-32-22(18-34(26)28)17-23-19-35-27(31(4,5)6)16-21-12-8-10-14-25(21)29(35)33-23;/h7-12,15-16,18-19H,17H2,1-6H3;/q-2;+2.
What are the key properties of 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) has a molecular weight of 653.69 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is sourced from PubChem (CID 58517772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).