iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)

C27H24IrN9 — CID 58401433

IUPACiridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)
SMILESCn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.[Ir+3]
InChIInChI=1S/3C9H8N3.Ir/c3*1-12-6-5-11-9(12)8-3-2-4-10-7-8;/h3*2,4-7H,1H3;/q3*-1;+3
InChIKeySYUSPLMNVWERTP-UHFFFAOYSA-N
MW666.77 g/mol
LogP3.84
Rot. Bonds3

About iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)

iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide) (PubChem CID 58401433) has the molecular formula C27H24IrN9 and a molecular weight of 666.77 g/mol. Its IUPAC name is iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide).

Molecular Properties

Compound Nameiridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)
PubChem CID58401433
Molecular FormulaC27H24IrN9
Molecular Weight666.77 g/mol
Exact Mass667.18
IUPAC Nameiridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)
SMILESCn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.[Ir+3]
InChIInChI=1S/3C9H8N3.Ir/c3*1-12-6-5-11-9(12)8-3-2-4-10-7-8;/h3*2,4-7H,1H3;/q3*-1;+3
InChIKeySYUSPLMNVWERTP-UHFFFAOYSA-N
XLogP3.84
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.77
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
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
Tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 58401368
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
Iridium(3+);tris(1-methyl-2-phenylimidazole)
CID 58401538
Tris(1,5-dimethyl-2-(2-methylbenzene-6-id-1-yl)imidazole);iridium(3+)
CID 58401543
bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)
CID 58401730
1-Methyl-2-phenylimidazole;1-methyl-2-phenylimidazol-1-ium-3-ide;platinum
CID 58401739
Iridium(3+);tris(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole)
CID 58401797
Bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
CID 58401808

Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)?
The IUPAC name of iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide) (CID 58401433) is iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide).
What is the SMILES notation for iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)?
The canonical SMILES for iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide) is Cn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.[Ir+3].
What is the InChIKey of iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)?
The InChIKey is SYUSPLMNVWERTP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8N3.Ir/c3*1-12-6-5-11-9(12)8-3-2-4-10-7-8;/h3*2,4-7H,1H3;/q3*-1;+3.
What are the key properties of iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)?
iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide) has a molecular weight of 666.77 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide) is sourced from PubChem (CID 58401433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).