5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole

C56H32N6O2 — CID 118243459

IUPAC5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C56H32N6O2/c1-7-18-51-39(12-1)41-31-37(22-26-53(41)63-51)59-47-24-20-35(29-49(47)61-45-16-5-3-14-43(45)57-55(59)61)33-10-9-11-34(28-33)36-21-25-48-50(30-36)62-46-17-6-4-15-44(46)58-56(62)60(48)38-23-27-54-42(32-38)40-13-2-8-19-52(40)64-54/h1-32H
InChIKeyZLVWRAROVYDTFD-UHFFFAOYSA-N
MW820.91 g/mol
LogP14.31
Rot. Bonds4

About 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole

5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 118243459) has the molecular formula C56H32N6O2 and a molecular weight of 820.91 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID118243459
Molecular FormulaC56H32N6O2
Molecular Weight820.91 g/mol
Exact Mass820.26
IUPAC Name5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C56H32N6O2/c1-7-18-51-39(12-1)41-31-37(22-26-53(41)63-51)59-47-24-20-35(29-49(47)61-45-16-5-3-14-43(45)57-55(59)61)33-10-9-11-34(28-33)36-21-25-48-50(30-36)62-46-17-6-4-15-44(46)58-56(62)60(48)38-23-27-54-42(32-38)40-13-2-8-19-52(40)64-54/h1-32H
InChIKeyZLVWRAROVYDTFD-UHFFFAOYSA-N
XLogP14.31
TPSA70.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.91
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole (CID 118243459) is 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole is c1cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is ZLVWRAROVYDTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6O2/c1-7-18-51-39(12-1)41-31-37(22-26-53(41)63-51)59-47-24-20-35(29-49(47)61-45-16-5-3-14-43(45)57-55(59)61)33-10-9-11-34(28-33)36-21-25-48-50(30-36)62-46-17-6-4-15-44(46)58-56(62)60(48)38-23-27-54-42(32-38)40-13-2-8-19-52(40)64-54/h1-32H.
What are the key properties of 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole?
5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 820.91 g/mol, XLogP of 14.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-2-[3-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 118243459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).