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

C54H44F2GeIrN4O-2 — CID 156671262

IUPAC6-[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
SMILESCC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc(F)cc4)cnc23)nc2ccc(F)cc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C40H28F2N3O.C14H16GeN.Ir/c1-40(2,3)32-14-8-11-29(25-9-5-4-6-10-25)37(32)45-34-22-28(42)19-20-33(34)44-39(45)31-13-7-12-30-36-35(46-38(30)31)21-26(23-43-36)24-15-17-27(41)18-16-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-12,14-23H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyDPQWCXFTAZTRAH-UHFFFAOYSA-N
MW1067.80 g/mol
LogP13.79
Rot. Bonds6

About 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

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 (PubChem CID 156671262) has the molecular formula C54H44F2GeIrN4O-2 and a molecular weight of 1067.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID156671262
Molecular FormulaC54H44F2GeIrN4O-2
Molecular Weight1067.80 g/mol
Exact Mass1069.23
IUPAC Name6-[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
SMILESCC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc(F)cc4)cnc23)nc2ccc(F)cc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C40H28F2N3O.C14H16GeN.Ir/c1-40(2,3)32-14-8-11-29(25-9-5-4-6-10-25)37(32)45-34-22-28(42)19-20-33(34)44-39(45)31-13-7-12-30-36-35(46-38(30)31)21-26(23-43-36)24-15-17-27(41)18-16-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-12,14-23H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyDPQWCXFTAZTRAH-UHFFFAOYSA-N
XLogP13.79
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.80
LogP ≤ 513.79
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

3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658147
1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[1-methyl-7-[3,4,5-tris(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 171716923
1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 170537733
[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
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
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
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
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657608
1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 163811245
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
iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574116
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc(F)cc4)cnc23)nc2ccc(F)cc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of 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?
The InChIKey is DPQWCXFTAZTRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28F2N3O.C14H16GeN.Ir/c1-40(2,3)32-14-8-11-29(25-9-5-4-6-10-25)37(32)45-34-22-28(42)19-20-33(34)44-39(45)31-13-7-12-30-36-35(46-38(30)31)21-26(23-43-36)24-15-17-27(41)18-16-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-12,14-23H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 1067.80 g/mol, XLogP of 13.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156671262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).