1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole

C44H26N4O2 — CID 58037471

IUPAC1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
SMILESc1cc(-c2nc3ccccc3n2-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3n2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C44H26N4O2/c1-7-18-39-31(12-1)33-25-29(20-22-41(33)49-39)47-37-16-5-3-14-35(37)45-43(47)27-10-9-11-28(24-27)44-46-36-15-4-6-17-38(36)48(44)30-21-23-42-34(26-30)32-13-2-8-19-40(32)50-42/h1-26H
InChIKeyIRCRLRWLWVZHHF-UHFFFAOYSA-N
MW642.72 g/mol
LogP11.50
Rot. Bonds4

About 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole

1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole (PubChem CID 58037471) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
PubChem CID58037471
Molecular FormulaC44H26N4O2
Molecular Weight642.72 g/mol
Exact Mass642.21
IUPAC Name1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
SMILESc1cc(-c2nc3ccccc3n2-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3n2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C44H26N4O2/c1-7-18-39-31(12-1)33-25-29(20-22-41(33)49-39)47-37-16-5-3-14-35(37)45-43(47)27-10-9-11-28(24-27)44-46-36-15-4-6-17-38(36)48(44)30-21-23-42-34(26-30)32-13-2-8-19-40(32)50-42/h1-26H
InChIKeyIRCRLRWLWVZHHF-UHFFFAOYSA-N
XLogP11.50
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.72
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
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CID 90324714
N-dibenzofuran-3-yl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N,N-bis[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole (CID 58037471) is 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole is c1cc(-c2nc3ccccc3n2-c2ccc3oc4ccccc4c3c2)cc(-c2nc3ccccc3n2-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole?
The InChIKey is IRCRLRWLWVZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-7-18-39-31(12-1)33-25-29(20-22-41(33)49-39)47-37-16-5-3-14-35(37)45-43(47)27-10-9-11-28(24-27)44-46-36-15-4-6-17-38(36)48(44)30-21-23-42-34(26-30)32-13-2-8-19-40(32)50-42/h1-26H.
What are the key properties of 1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole?
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole has a molecular weight of 642.72 g/mol, XLogP of 11.50, 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-ylbenzimidazol-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 58037471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).