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

C60H43FGeIrN4S-2 — CID 156671628

IUPAC8-[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
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1ccc(-c2nc3sc4c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3c3ccccc23)cc1.[Ir]
InChIInChI=1S/C46H27FN3S.C14H16GeN.Ir/c47-32-27-25-31(26-28-32)42-36-18-8-7-17-35(36)41-37-21-12-22-38(44(37)51-46(41)49-42)45-48-39-23-9-10-24-40(39)50(45)43-33(29-13-3-1-4-14-29)19-11-20-34(43)30-15-5-2-6-16-30;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-21,23-28H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyTXNRUAMUWHODQU-UHFFFAOYSA-N
MW1135.92 g/mol
LogP15.64
Rot. Bonds7

About 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

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 (PubChem CID 156671628) has the molecular formula C60H43FGeIrN4S-2 and a molecular weight of 1135.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID156671628
Molecular FormulaC60H43FGeIrN4S-2
Molecular Weight1135.92 g/mol
Exact Mass1137.20
IUPAC Name8-[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
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1ccc(-c2nc3sc4c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3c3ccccc23)cc1.[Ir]
InChIInChI=1S/C46H27FN3S.C14H16GeN.Ir/c47-32-27-25-31(26-28-32)42-36-18-8-7-17-35(36)41-37-21-12-22-38(44(37)51-46(41)49-42)45-48-39-23-9-10-24-40(39)50(45)43-33(29-13-3-1-4-14-29)19-11-20-34(43)30-15-5-2-6-16-30;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-21,23-28H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyTXNRUAMUWHODQU-UHFFFAOYSA-N
XLogP15.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.92
LogP ≤ 515.64
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-fluorophenyl)-9H-[1]benzothiolo[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-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672193
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
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
1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658506
2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156670824
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
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657608
2-[7,9-bis(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-(3-phenylphenyl)benzimidazole;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658906
[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-(2,5-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
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574006
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1ccc(-c2nc3sc4c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3c3ccccc23)cc1.[Ir].
What is the InChIKey of 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?
The InChIKey is TXNRUAMUWHODQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27FN3S.C14H16GeN.Ir/c47-32-27-25-31(26-28-32)42-36-18-8-7-17-35(36)41-37-21-12-22-38(44(37)51-46(41)49-42)45-48-39-23-9-10-24-40(39)50(45)43-33(29-13-3-1-4-14-29)19-11-20-34(43)30-15-5-2-6-16-30;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-21,23-28H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 1135.92 g/mol, XLogP of 15.64, 7 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-fluorophenyl)-9H-[1]benzothiolo[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156671628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).