5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium

C16H18IrN2-2 — CID 58517740

IUPAC5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCN1C=C2C=C(C(C)(C)C)c3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C16H18N2.Ir/c1-16(2,3)14-9-12-10-17(4)11-18(12)15-8-6-5-7-13(14)15;/h5-7,9-11H,1-4H3;/q-2;
InChIKeyDONBAVKPRHVHFH-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.64
Rot. Bonds

About 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium

5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (PubChem CID 58517740) has the molecular formula C16H18IrN2-2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
PubChem CID58517740
Molecular FormulaC16H18IrN2-2
Molecular Weight430.55 g/mol
Exact Mass431.11
IUPAC Name5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
SMILESCN1C=C2C=C(C(C)(C)C)c3ccc[c-]c3N2[CH-]1.[Ir]
InChIInChI=1S/C16H18N2.Ir/c1-16(2,3)14-9-12-10-17(4)11-18(12)15-8-6-5-7-13(14)15;/h5-7,9-11H,1-4H3;/q-2;
InChIKeyDONBAVKPRHVHFH-UHFFFAOYSA-N
XLogP3.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.64
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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Related Compounds

1-[2-(4-tert-butylbenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium
CID 58106794
2,5-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517885
1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;iridium
CID 59404002
2,3-Dimethyl-3,5,8,9-tetrahydroimidazo[5,1-a]isoindole
CID 89671491
1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 134315353
7,8-diethyl-1,5,7,8-tetramethyl-6-[(Z)-prop-1-enyl]-8aH-imidazo[1,2-a]pyridine
CID 139567877
iridium;1,4,4,7,7-pentamethyl-3-phenyl-5,6-dihydro-2H-benzimidazol-2-ide
CID 140790078
6-ethenyl-1,7,7,8,8-pentamethyl-5-[(Z)-prop-1-enyl]-8aH-imidazo[1,2-a]pyridine
CID 144013035
Iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 155791447
(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,6-dihydroimidazo[1,5-a]quinolin-6-ide;ruthenium(1+)
CID 165013429
(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)
CID 165040083
3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine
CID 166080070

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The IUPAC name of 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium (CID 58517740) is 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium.
What is the SMILES notation for 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The canonical SMILES for 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is CN1C=C2C=C(C(C)(C)C)c3ccc[c-]c3N2[CH-]1.[Ir].
What is the InChIKey of 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
The InChIKey is DONBAVKPRHVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.Ir/c1-16(2,3)14-9-12-10-17(4)11-18(12)15-8-6-5-7-13(14)15;/h5-7,9-11H,1-4H3;/q-2;.
What are the key properties of 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium?
5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium has a molecular weight of 430.55 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium is sourced from PubChem (CID 58517740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).