iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)

C30H54IrN6-6 — CID 5250517

IUPACiridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Ir]
InChIInChI=1S/3C10H18N2.Ir/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*9-10H,1-8H2;/q3*-2;
InChIKeyLEWNGCRVNDMFSQ-UHFFFAOYSA-N
MW691.02 g/mol
LogP8.51
Rot. Bonds3

About iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)

iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide) (PubChem CID 5250517) has the molecular formula C30H54IrN6-6 and a molecular weight of 691.02 g/mol. Its IUPAC name is iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide).

Molecular Properties

Compound Nameiridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
PubChem CID5250517
Molecular FormulaC30H54IrN6-6
Molecular Weight691.02 g/mol
Exact Mass691.41
IUPAC Nameiridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Ir]
InChIInChI=1S/3C10H18N2.Ir/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*9-10H,1-8H2;/q3*-2;
InChIKeyLEWNGCRVNDMFSQ-UHFFFAOYSA-N
XLogP8.51
TPSA84.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.02
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Iron(6+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54603514
Ruthenium tris(2, dichloride
CID 54603649
Iridium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 59063314
Bis(piperidin-1-ide);bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
CID 59919011
4-Methyl-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
CID 59973511
Bis(piperidin-1-ide);bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+)
CID 140444400
Tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+)
CID 140482762
Copper bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 5252195
8,8'-Spirobi[7,9-diaza-8-plumbatricyclo[7.4.0.02,7]tridecane]
CID 16685450
Tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride
CID 156588355
Tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+);chloride;hydrate
CID 156588356
Nickel(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, chloride (1:2), (OC-6-11)-
CID 163355437

Frequently Asked Questions

What is the IUPAC name of iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)?
The IUPAC name of iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide) (CID 5250517) is iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide).
What is the SMILES notation for iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)?
The canonical SMILES for iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide) is C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Ir].
What is the InChIKey of iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)?
The InChIKey is LEWNGCRVNDMFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H18N2.Ir/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*9-10H,1-8H2;/q3*-2;.
What are the key properties of iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)?
iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide) has a molecular weight of 691.02 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide) is sourced from PubChem (CID 5250517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).