8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C61H46GeIrN4O-2 — CID 156672193

IUPAC8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2nc3oc4c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3c3ccccc23)cc1.[Ir]
InChIInChI=1S/C47H30N3O.C14H16GeN.Ir/c1-30-26-28-33(29-27-30)43-37-19-9-8-18-36(37)42-38-22-13-23-39(45(38)51-47(42)49-43)46-48-40-24-10-11-25-41(40)50(46)44-34(31-14-4-2-5-15-31)20-12-21-35(44)32-16-6-3-7-17-32;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-22,24-29H,1H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3;;
InChIKeyFTWWRVKJLFOMGU-GXXYEPOPSA-N
MW1118.91 g/mol
LogP15.34
Rot. Bonds8

About 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156672193) has the molecular formula C61H46GeIrN4O-2 and a molecular weight of 1118.91 g/mol. Its IUPAC name is 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156672193
Molecular FormulaC61H46GeIrN4O-2
Molecular Weight1118.91 g/mol
Exact Mass1120.27
IUPAC Name8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2nc3oc4c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3c3ccccc23)cc1.[Ir]
InChIInChI=1S/C47H30N3O.C14H16GeN.Ir/c1-30-26-28-33(29-27-30)43-37-19-9-8-18-36(37)42-38-22-13-23-39(45(38)51-47(42)49-43)46-48-40-24-10-11-25-41(40)50(46)44-34(31-14-4-2-5-15-31)20-12-21-35(44)32-16-6-3-7-17-32;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-22,24-29H,1H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3;;
InChIKeyFTWWRVKJLFOMGU-GXXYEPOPSA-N
XLogP15.34
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.91
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane with MolForge

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Related Compounds

8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-9H-[1]benzothiolo[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156671628
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-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657608
iridium;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156669876
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
1-(2,6-dimethyl-4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]-9H-naphtho[1,2-b][1]benzothiol-9-id-10-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156659921
8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 156668216
2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-1-(2,6-diphenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 167332821
8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156667756
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
iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazole;2-phenyl-5-(trideuteriomethyl)pyridine
CID 170941208
8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 156670846

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156672193) is 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2nc3oc4c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3c3ccccc23)cc1.[Ir].
What is the InChIKey of 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is FTWWRVKJLFOMGU-GXXYEPOPSA-N. The full InChI is InChI=1S/C47H30N3O.C14H16GeN.Ir/c1-30-26-28-33(29-27-30)43-37-19-9-8-18-36(37)42-38-22-13-23-39(45(38)51-47(42)49-43)46-48-40-24-10-11-25-41(40)50(46)44-34(31-14-4-2-5-15-31)20-12-21-35(44)32-16-6-3-7-17-32;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-22,24-29H,1H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3;;.
What are the key properties of 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 1118.91 g/mol, XLogP of 15.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156672193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).