tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)

C30H30IrN9 — CID 58401904

IUPACtris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)
SMILESCc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.[Ir+3]
InChIInChI=1S/3C10H10N3.Ir/c3*1-8-10(12-7-13(8)2)9-4-3-5-11-6-9;/h3*3,5-7H,1-2H3;/q3*-1;+3
InChIKeyVAMCKNIQLPGGJH-UHFFFAOYSA-N
MW708.85 g/mol
LogP4.77
Rot. Bonds3

About tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)

tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+) (PubChem CID 58401904) has the molecular formula C30H30IrN9 and a molecular weight of 708.85 g/mol. Its IUPAC name is tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+).

Molecular Properties

Compound Nametris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)
PubChem CID58401904
Molecular FormulaC30H30IrN9
Molecular Weight708.85 g/mol
Exact Mass709.23
IUPAC Nametris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)
SMILESCc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.[Ir+3]
InChIInChI=1S/3C10H10N3.Ir/c3*1-8-10(12-7-13(8)2)9-4-3-5-11-6-9;/h3*3,5-7H,1-2H3;/q3*-1;+3
InChIKeyVAMCKNIQLPGGJH-UHFFFAOYSA-N
XLogP4.77
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500708.85
LogP ≤ 54.77
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(3+);bis(4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);1-methyl-4-(2-methylbenzene-6-id-1-yl)imidazole
CID 58401384
Iridium(3+);tris(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole)
CID 58401336
iridium(3+);tris(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide)
CID 58401347
Tris(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 58401349
Tris(1,5-dimethyl-2-(2-methylbenzene-6-id-1-yl)imidazole);iridium(3+)
CID 58401543
Bis(1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);platinum(2+)
CID 58401570
Tris(1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);iridium(3+)
CID 58401703
bis(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);platinum(2+)
CID 58401802
Tris(1,5-dimethyl-4-phenylimidazole);iridium(3+)
CID 58401830
Bis(1,5-dimethyl-4-phenylimidazole);platinum(2+)
CID 58401905
4-(2,4-Dimethylbenzene-6-id-1-yl)-1,5-dimethylimidazole;bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 59661363
Bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
CID 59661369

Frequently Asked Questions

What is the IUPAC name of tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)?
The IUPAC name of tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+) (CID 58401904) is tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+).
What is the SMILES notation for tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)?
The canonical SMILES for tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+) is Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.[Ir+3].
What is the InChIKey of tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)?
The InChIKey is VAMCKNIQLPGGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H10N3.Ir/c3*1-8-10(12-7-13(8)2)9-4-3-5-11-6-9;/h3*3,5-7H,1-2H3;/q3*-1;+3.
What are the key properties of tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+)?
tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+) has a molecular weight of 708.85 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);iridium(3+) is sourced from PubChem (CID 58401904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).