3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C49H35GeIrN3OS-2 — CID 156658780

IUPAC3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C35H19N2OS.C14H16GeN.Ir/c1-2-10-22-20-30-28(19-21(22)9-1)36-35(27-15-7-14-26-24-12-4-6-18-32(24)39-34(26)27)37(30)29-16-8-13-25-23-11-3-5-17-31(23)38-33(25)29;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-14,16-20H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyIZHUEAYMJKNVGV-UHFFFAOYSA-N
MW978.73 g/mol
LogP13.00
Rot. Bonds4

About 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156658780) has the molecular formula C49H35GeIrN3OS-2 and a molecular weight of 978.73 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156658780
Molecular FormulaC49H35GeIrN3OS-2
Molecular Weight978.73 g/mol
Exact Mass980.14
IUPAC Name3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C35H19N2OS.C14H16GeN.Ir/c1-2-10-22-20-30-28(19-21(22)9-1)36-35(27-15-7-14-26-24-12-4-6-18-32(24)39-34(26)27)37(30)29-16-8-13-25-23-11-3-5-17-31(23)38-33(25)29;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-14,16-20H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyIZHUEAYMJKNVGV-UHFFFAOYSA-N
XLogP13.00
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.73
LogP ≤ 513.00
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

CID 158978780
CID 158978780
3-(8-Fluorodibenzofuran-4-yl)-2-(1-methyldibenzothiophen-4-yl)benzo[f]benzimidazole
CID 156657679
1-Dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole
CID 156660303
3-Dibenzofuran-4-yl-2-(1-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole
CID 156660491
8-(1-Dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine
CID 156667854
8-(1-Dibenzofuran-4-ylbenzimidazol-2-yl)-2-fluoro-5-methyl-[1]benzothiolo[2,3-b]pyridine
CID 156671031
2-Dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole
CID 167355045
1-Dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole
CID 171435798
9-Fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
CID 176644217
8-(1-Dibenzofuran-4-yl-5-fluorobenzimidazol-2-yl)-2-fluoro-5-methyl-[1]benzothiolo[2,3-b]pyridine
CID 176644274
8-(3-Dibenzofuran-4-ylbenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine
CID 176644318
9-Fluoro-4-[3-(1-methyldibenzofuran-4-yl)benzo[f]benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
CID 176644435

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156658780) is 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is IZHUEAYMJKNVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N2OS.C14H16GeN.Ir/c1-2-10-22-20-30-28(19-21(22)9-1)36-35(27-15-7-14-26-24-12-4-6-18-32(24)39-34(26)27)37(30)29-16-8-13-25-23-11-3-5-17-31(23)38-33(25)29;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-14,16-20H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 978.73 g/mol, XLogP of 13.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156658780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).