bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium

C30H29IrN7-2 — CID 58401394

IUPACbis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium
SMILESCc1cnc(-c2[c-]cccc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C.[Ir].c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/2C11H11N2.C8H7N3.Ir/c2*1-9-8-12-11(13(9)2)10-6-4-3-5-7-10;1-2-4-9-7(3-1)8-10-5-6-11-8;/h2*3-6,8H,1-2H3;1-6H,(H,10,11);/q2*-1;;
InChIKeyDHXPZNTWYABEMI-UHFFFAOYSA-N
MW679.83 g/mol
LogP5.86
Rot. Bonds3

About bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium

bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium (PubChem CID 58401394) has the molecular formula C30H29IrN7-2 and a molecular weight of 679.83 g/mol. Its IUPAC name is bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium.

Molecular Properties

Compound Namebis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium
PubChem CID58401394
Molecular FormulaC30H29IrN7-2
Molecular Weight679.83 g/mol
Exact Mass680.21
IUPAC Namebis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium
SMILESCc1cnc(-c2[c-]cccc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C.[Ir].c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/2C11H11N2.C8H7N3.Ir/c2*1-9-8-12-11(13(9)2)10-6-4-3-5-7-10;1-2-4-9-7(3-1)8-10-5-6-11-8;/h2*3-6,8H,1-2H3;1-6H,(H,10,11);/q2*-1;;
InChIKeyDHXPZNTWYABEMI-UHFFFAOYSA-N
XLogP5.86
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.83
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole
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4-(1-methyl-1H-imidazol-2-yl)-5-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
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CID 177372678
1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole
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5,10,15,20-Tetrakis(1,3-diethylimidazol-2-ylium-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 90713413
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
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CID 95196712
(4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95867865
3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine
CID 95871571
Iridium;1-methyl-4-phenylimidazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 59800431
1-[2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]ethanone
CID 170783904

Frequently Asked Questions

What is the IUPAC name of bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium?
The IUPAC name of bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium (CID 58401394) is bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium.
What is the SMILES notation for bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium?
The canonical SMILES for bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium is Cc1cnc(-c2[c-]cccc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C.[Ir].c1ccc(-c2ncc[nH]2)nc1.
What is the InChIKey of bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium?
The InChIKey is DHXPZNTWYABEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N2.C8H7N3.Ir/c2*1-9-8-12-11(13(9)2)10-6-4-3-5-7-10;1-2-4-9-7(3-1)8-10-5-6-11-8;/h2*3-6,8H,1-2H3;1-6H,(H,10,11);/q2*-1;;.
What are the key properties of bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium?
bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium has a molecular weight of 679.83 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium is sourced from PubChem (CID 58401394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).