1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)

C33H41N7Pt — CID 153448478

IUPAC1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)
SMILESCCCCCCN1C=CN(CCCCCC)[CH-]1.[Pt+2].c1ccc(/N=C2\[N-]/C(=N\c3ccccn3)c3ccccc32)nc1
InChIInChI=1S/C18H12N5.C15H29N2.Pt/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16;1-3-5-7-9-11-16-13-14-17(15-16)12-10-8-6-4-2;/h1-12H;13-15H,3-12H2,1-2H3;/q2*-1;+2
InChIKeyIAHRTZIALQIZOH-UHFFFAOYSA-N
MW730.82 g/mol
LogP8.37
Rot. Bonds12

About 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)

1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+) (PubChem CID 153448478) has the molecular formula C33H41N7Pt and a molecular weight of 730.82 g/mol. Its IUPAC name is 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+).

Molecular Properties

Compound Name1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)
PubChem CID153448478
Molecular FormulaC33H41N7Pt
Molecular Weight730.82 g/mol
Exact Mass730.31
IUPAC Name1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)
SMILESCCCCCCN1C=CN(CCCCCC)[CH-]1.[Pt+2].c1ccc(/N=C2\[N-]/C(=N\c3ccccn3)c3ccccc32)nc1
InChIInChI=1S/C18H12N5.C15H29N2.Pt/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16;1-3-5-7-9-11-16-13-14-17(15-16)12-10-8-6-4-2;/h1-12H;13-15H,3-12H2,1-2H3;/q2*-1;+2
InChIKeyIAHRTZIALQIZOH-UHFFFAOYSA-N
XLogP8.37
TPSA71.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.82
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)?
The IUPAC name of 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+) (CID 153448478) is 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+).
What is the SMILES notation for 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)?
The canonical SMILES for 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+) is CCCCCCN1C=CN(CCCCCC)[CH-]1.[Pt+2].c1ccc(/N=C2\[N-]/C(=N\c3ccccn3)c3ccccc32)nc1.
What is the InChIKey of 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)?
The InChIKey is IAHRTZIALQIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N5.C15H29N2.Pt/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16;1-3-5-7-9-11-16-13-14-17(15-16)12-10-8-6-4-2;/h1-12H;13-15H,3-12H2,1-2H3;/q2*-1;+2.
What are the key properties of 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)?
1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+) has a molecular weight of 730.82 g/mol, XLogP of 8.37, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+) is sourced from PubChem (CID 153448478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).