1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole

C36H22N4O2 — CID 58037502

IUPAC1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole
SMILESc1cc(-c2nccn2-c2ccc3oc4ccccc4c3c2)cc(-c2nccn2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C36H22N4O2/c1-3-10-31-27(8-1)29-21-25(12-14-33(29)41-31)39-18-16-37-35(39)23-6-5-7-24(20-23)36-38-17-19-40(36)26-13-15-34-30(22-26)28-9-2-4-11-32(28)42-34/h1-22H
InChIKeyBCOISJQPVAGJKY-UHFFFAOYSA-N
MW542.60 g/mol
LogP9.19
Rot. Bonds4

About 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole

1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole (PubChem CID 58037502) has the molecular formula C36H22N4O2 and a molecular weight of 542.60 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole
PubChem CID58037502
Molecular FormulaC36H22N4O2
Molecular Weight542.60 g/mol
Exact Mass542.17
IUPAC Name1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole
SMILESc1cc(-c2nccn2-c2ccc3oc4ccccc4c3c2)cc(-c2nccn2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C36H22N4O2/c1-3-10-31-27(8-1)29-21-25(12-14-33(29)41-31)39-18-16-37-35(39)23-6-5-7-24(20-23)36-38-17-19-40(36)26-13-15-34-30(22-26)28-9-2-4-11-32(28)42-34/h1-22H
InChIKeyBCOISJQPVAGJKY-UHFFFAOYSA-N
XLogP9.19
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole?
The IUPAC name of 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole (CID 58037502) is 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole.
What is the SMILES notation for 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole?
The canonical SMILES for 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole is c1cc(-c2nccn2-c2ccc3oc4ccccc4c3c2)cc(-c2nccn2-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole?
The InChIKey is BCOISJQPVAGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2/c1-3-10-31-27(8-1)29-21-25(12-14-33(29)41-31)39-18-16-37-35(39)23-6-5-7-24(20-23)36-38-17-19-40(36)26-13-15-34-30(22-26)28-9-2-4-11-32(28)42-34/h1-22H.
What are the key properties of 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole?
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole has a molecular weight of 542.60 g/mol, XLogP of 9.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylimidazol-2-yl)phenyl]imidazole is sourced from PubChem (CID 58037502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).