iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide

C14H14IrN2-2 — CID 58518018

IUPACiridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
SMILESCC1=CC2=CN(C)[CH-]N2c2[c-]cc(C)cc21.[Ir]
InChIInChI=1S/C14H14N2.Ir/c1-10-4-5-14-13(6-10)11(2)7-12-8-15(3)9-16(12)14;/h4,6-9H,1-3H3;/q-2;
InChIKeyOPIFAXOVZQLRIN-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.92
Rot. Bonds

About iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide

iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide (PubChem CID 58518018) has the molecular formula C14H14IrN2-2 and a molecular weight of 402.50 g/mol. Its IUPAC name is iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide.

Molecular Properties

Compound Nameiridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
PubChem CID58518018
Molecular FormulaC14H14IrN2-2
Molecular Weight402.50 g/mol
Exact Mass403.08
IUPAC Nameiridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
SMILESCC1=CC2=CN(C)[CH-]N2c2[c-]cc(C)cc21.[Ir]
InChIInChI=1S/C14H14N2.Ir/c1-10-4-5-14-13(6-10)11(2)7-12-8-15(3)9-16(12)14;/h4,6-9H,1-3H3;/q-2;
InChIKeyOPIFAXOVZQLRIN-UHFFFAOYSA-N
XLogP2.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.92
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 iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The IUPAC name of iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide (CID 58518018) is iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide.
What is the SMILES notation for iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The canonical SMILES for iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide is CC1=CC2=CN(C)[CH-]N2c2[c-]cc(C)cc21.[Ir].
What is the InChIKey of iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The InChIKey is OPIFAXOVZQLRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.Ir/c1-10-4-5-14-13(6-10)11(2)7-12-8-15(3)9-16(12)14;/h4,6-9H,1-3H3;/q-2;.
What are the key properties of iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide has a molecular weight of 402.50 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2,5,7-trimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide is sourced from PubChem (CID 58518018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).