iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide

C18H16IrN6-2 — CID 58220024

IUPACiridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide
SMILESCn1ccnc1-c1[c-]cccc1.Cn1cnnc1-c1[c-]cncc1.[Ir]
InChIInChI=1S/C10H9N2.C8H7N4.Ir/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-12-6-10-11-8(12)7-2-4-9-5-3-7;/h2-5,7-8H,1H3;2,4-6H,1H3;/q2*-1;
InChIKeyUMEXUUDTPSVVAG-UHFFFAOYSA-N
MW508.59 g/mol
LogP2.56
Rot. Bonds2

About iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide

iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide (PubChem CID 58220024) has the molecular formula C18H16IrN6-2 and a molecular weight of 508.59 g/mol. Its IUPAC name is iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide.

Molecular Properties

Compound Nameiridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide
PubChem CID58220024
Molecular FormulaC18H16IrN6-2
Molecular Weight508.59 g/mol
Exact Mass509.11
IUPAC Nameiridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide
SMILESCn1ccnc1-c1[c-]cccc1.Cn1cnnc1-c1[c-]cncc1.[Ir]
InChIInChI=1S/C10H9N2.C8H7N4.Ir/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-12-6-10-11-8(12)7-2-4-9-5-3-7;/h2-5,7-8H,1H3;2,4-6H,1H3;/q2*-1;
InChIKeyUMEXUUDTPSVVAG-UHFFFAOYSA-N
XLogP2.56
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.59
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Iridium;1-methyl-2-phenylimidazole;1-phenyl-1,2,4-triazole
CID 57596125
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
Iridium;1-methyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole
CID 57596149
CID 58162446
CID 58162446
CID 58162546
CID 58162546
CID 58162580
CID 58162580
CID 58162624
CID 58162624
CID 58162694
CID 58162694
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056
1-Methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
CID 58163118
2-(2,4-Dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
CID 58401313
1-Methyl-2-(2-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazol-1-ium-3-ide;platinum
CID 58401371

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide?
The IUPAC name of iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide (CID 58220024) is iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide.
What is the SMILES notation for iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide?
The canonical SMILES for iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide is Cn1ccnc1-c1[c-]cccc1.Cn1cnnc1-c1[c-]cncc1.[Ir].
What is the InChIKey of iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide?
The InChIKey is UMEXUUDTPSVVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2.C8H7N4.Ir/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-12-6-10-11-8(12)7-2-4-9-5-3-7;/h2-5,7-8H,1H3;2,4-6H,1H3;/q2*-1;.
What are the key properties of iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide?
iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide has a molecular weight of 508.59 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide is sourced from PubChem (CID 58220024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).