indium(3+);tris(quinolin-8-olate)

C27H18InN3O3 — CID 6711602

IUPACindium(3+);tris(quinolin-8-olate)
SMILES[In+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/3C9H7NO.In/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3
InChIKeyAEGSYIKLTCZUEZ-UHFFFAOYSA-K
MW547.28 g/mol
LogP3.54
Rot. Bonds

About indium(3+);tris(quinolin-8-olate)

indium(3+);tris(quinolin-8-olate) (PubChem CID 6711602) has the molecular formula C27H18InN3O3 and a molecular weight of 547.28 g/mol. Its IUPAC name is indium(3+);tris(quinolin-8-olate).

Molecular Properties

Compound Nameindium(3+);tris(quinolin-8-olate)
PubChem CID6711602
Molecular FormulaC27H18InN3O3
Molecular Weight547.28 g/mol
Exact Mass547.04
IUPAC Nameindium(3+);tris(quinolin-8-olate)
SMILES[In+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/3C9H7NO.In/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3
InChIKeyAEGSYIKLTCZUEZ-UHFFFAOYSA-K
XLogP3.54
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Oxine-copper
CID 3032555
Hydroxyquinoline sulfate
CID 517000
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
GNF-Pf-3485
CID 2904976
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-8-hydroxy-quinolinium
CID 2904977
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198
Gallium 8-hydroxyquinolinate
CID 16686135
Zinc oxyquinolate
CID 84127

Frequently Asked Questions

What is the IUPAC name of indium(3+);tris(quinolin-8-olate)?
The IUPAC name of indium(3+);tris(quinolin-8-olate) (CID 6711602) is indium(3+);tris(quinolin-8-olate).
What is the SMILES notation for indium(3+);tris(quinolin-8-olate)?
The canonical SMILES for indium(3+);tris(quinolin-8-olate) is [In+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of indium(3+);tris(quinolin-8-olate)?
The InChIKey is AEGSYIKLTCZUEZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H7NO.In/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3.
What are the key properties of indium(3+);tris(quinolin-8-olate)?
indium(3+);tris(quinolin-8-olate) has a molecular weight of 547.28 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for indium(3+);tris(quinolin-8-olate) is sourced from PubChem (CID 6711602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).