1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole

C38H24N2O2 — CID 156657603

IUPAC1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)cc1
InChIInChI=1S/C38H24N2O2/c1-23-17-19-24(20-18-23)25-21-22-29(37-35(25)28-10-3-7-16-34(28)42-37)38-39-30-12-4-5-13-31(30)40(38)32-14-8-11-27-26-9-2-6-15-33(26)41-36(27)32/h2-22H,1H3/i1D3
InChIKeyYZZVNOZCWHXDDY-FIBGUPNXSA-N
MW543.64 g/mol
LogP10.47
Rot. Bonds4

About 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole

1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole (PubChem CID 156657603) has the molecular formula C38H24N2O2 and a molecular weight of 543.64 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
PubChem CID156657603
Molecular FormulaC38H24N2O2
Molecular Weight543.64 g/mol
Exact Mass543.20
IUPAC Name1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)cc1
InChIInChI=1S/C38H24N2O2/c1-23-17-19-24(20-18-23)25-21-22-29(37-35(25)28-10-3-7-16-34(28)42-37)38-39-30-12-4-5-13-31(30)40(38)32-14-8-11-27-26-9-2-6-15-33(26)41-36(27)32/h2-22H,1H3/i1D3
InChIKeyYZZVNOZCWHXDDY-FIBGUPNXSA-N
XLogP10.47
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.64
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156657602
2-(1-fluorodibenzofuran-4-yl)-1-(2-phenylphenyl)benzimidazole
CID 156659191
[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
CID 168730895
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
1-dibenzofuran-4-yl-2-ethylbenzimidazole
CID 118020061
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
CID 171435999
2-dibenzofuran-4-yl-1-(9H-fluoren-1-yl)benzimidazole
CID 167355258
8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158
8-[1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]-2-(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 176756373
8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156671353
8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 156668334

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole?
The IUPAC name of 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole (CID 156657603) is 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole.
What is the SMILES notation for 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole?
The canonical SMILES for 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole is [2H]C([2H])([2H])c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)cc1.
What is the InChIKey of 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole?
The InChIKey is YZZVNOZCWHXDDY-FIBGUPNXSA-N. The full InChI is InChI=1S/C38H24N2O2/c1-23-17-19-24(20-18-23)25-21-22-29(37-35(25)28-10-3-7-16-34(28)42-37)38-39-30-12-4-5-13-31(30)40(38)32-14-8-11-27-26-9-2-6-15-33(26)41-36(27)32/h2-22H,1H3/i1D3.
What are the key properties of 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole?
1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole has a molecular weight of 543.64 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole is sourced from PubChem (CID 156657603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).