2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C41H35GeIrN3O-2 — CID 156657608

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C27H19N2O.C14H16GeN.Ir/c1-17-9-7-10-18(2)25(17)29-23-15-5-4-14-22(23)28-27(29)21-13-8-12-20-19-11-3-6-16-24(19)30-26(20)21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-16H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyKNUGWOKWIAUXDT-UHFFFAOYSA-N
MW850.58 g/mol
LogP10.10
Rot. Bonds4

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156657608) has the molecular formula C41H35GeIrN3O-2 and a molecular weight of 850.58 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156657608
Molecular FormulaC41H35GeIrN3O-2
Molecular Weight850.58 g/mol
Exact Mass852.16
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C27H19N2O.C14H16GeN.Ir/c1-17-9-7-10-18(2)25(17)29-23-15-5-4-14-22(23)28-27(29)21-13-8-12-20-19-11-3-6-16-24(19)30-26(20)21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-16H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyKNUGWOKWIAUXDT-UHFFFAOYSA-N
XLogP10.10
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.58
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658533
2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 156660073
2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;1-(2,6-dimethylphenyl)-2-phenylbenzimidazole;iridium
CID 177076014
iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658298
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156660716
2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156660882
[6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156671630
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]germane
CID 156660485
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156669875
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156657668
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658093
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156659737

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156657608) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[Ir].
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is KNUGWOKWIAUXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N2O.C14H16GeN.Ir/c1-17-9-7-10-18(2)25(17)29-23-15-5-4-14-22(23)28-27(29)21-13-8-12-20-19-11-3-6-16-24(19)30-26(20)21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-16H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 850.58 g/mol, XLogP of 10.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156657608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).