6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C50H37FGeIrN4O-2 — CID 156671288

IUPAC6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccncc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir]
InChIInChI=1S/C36H21FN3O.C14H16GeN.Ir/c37-30-15-8-16-31-34(30)40(36(39-31)28-14-7-13-27-29-22-38-20-19-33(29)41-35(27)28)32-21-25(23-9-3-1-4-10-23)17-18-26(32)24-11-5-2-6-12-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-13,15-22H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyTWGSSLRPQSXSGJ-UHFFFAOYSA-N
MW993.70 g/mol
LogP12.35
Rot. Bonds6

About 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156671288) has the molecular formula C50H37FGeIrN4O-2 and a molecular weight of 993.70 g/mol. Its IUPAC name is 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156671288
Molecular FormulaC50H37FGeIrN4O-2
Molecular Weight993.70 g/mol
Exact Mass995.18
IUPAC Name6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccncc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir]
InChIInChI=1S/C36H21FN3O.C14H16GeN.Ir/c37-30-15-8-16-31-34(30)40(36(39-31)28-14-7-13-27-29-22-38-20-19-33(29)41-35(27)28)32-21-25(23-9-3-1-4-10-23)17-18-26(32)24-11-5-2-6-12-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-13,15-22H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyTWGSSLRPQSXSGJ-UHFFFAOYSA-N
XLogP12.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.70
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156671114
6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671428
8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156670860
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,5-diphenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658677
iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578041
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,5-diphenylphenyl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658017
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657608
2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658615
iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574116
6-[1-(2-tert-butyl-6-phenylphenyl)-6-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156671262
[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170537757
iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166577258

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156671288) is 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccncc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir].
What is the InChIKey of 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is TWGSSLRPQSXSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21FN3O.C14H16GeN.Ir/c37-30-15-8-16-31-34(30)40(36(39-31)28-14-7-13-27-29-22-38-20-19-33(29)41-35(27)28)32-21-25(23-9-3-1-4-10-23)17-18-26(32)24-11-5-2-6-12-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-13,15-22H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 993.70 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156671288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).