2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole

C56H34N4O2 — CID 58037476

IUPAC2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9c(-c%10ccccc%10)nc%10ccccc%109)cc8c7c6)c5)cc4c3c2)cc1
InChIInChI=1S/C56H34N4O2/c1-3-12-35(13-4-1)55-57-47-18-7-9-20-49(47)59(55)41-24-28-53-45(33-41)43-31-39(22-26-51(43)61-53)37-16-11-17-38(30-37)40-23-27-52-44(32-40)46-34-42(25-29-54(46)62-52)60-50-21-10-8-19-48(50)58-56(60)36-14-5-2-6-15-36/h1-34H
InChIKeyUFWHQTLGFOOBRV-UHFFFAOYSA-N
MW794.91 g/mol
LogP14.83
Rot. Bonds6

About 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole

2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole (PubChem CID 58037476) has the molecular formula C56H34N4O2 and a molecular weight of 794.91 g/mol. Its IUPAC name is 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole
PubChem CID58037476
Molecular FormulaC56H34N4O2
Molecular Weight794.91 g/mol
Exact Mass794.27
IUPAC Name2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9c(-c%10ccccc%10)nc%10ccccc%109)cc8c7c6)c5)cc4c3c2)cc1
InChIInChI=1S/C56H34N4O2/c1-3-12-35(13-4-1)55-57-47-18-7-9-20-49(47)59(55)41-24-28-53-45(33-41)43-31-39(22-26-51(43)61-53)37-16-11-17-38(30-37)40-23-27-52-44(32-40)46-34-42(25-29-54(46)62-52)60-50-21-10-8-19-48(50)58-56(60)36-14-5-2-6-15-36/h1-34H
InChIKeyUFWHQTLGFOOBRV-UHFFFAOYSA-N
XLogP14.83
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.91
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole?
The IUPAC name of 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole (CID 58037476) is 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole is c1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9c(-c%10ccccc%10)nc%10ccccc%109)cc8c7c6)c5)cc4c3c2)cc1.
What is the InChIKey of 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole?
The InChIKey is UFWHQTLGFOOBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2/c1-3-12-35(13-4-1)55-57-47-18-7-9-20-49(47)59(55)41-24-28-53-45(33-41)43-31-39(22-26-51(43)61-53)37-16-11-17-38(30-37)40-23-27-52-44(32-40)46-34-42(25-29-54(46)62-52)60-50-21-10-8-19-48(50)58-56(60)36-14-5-2-6-15-36/h1-34H.
What are the key properties of 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole?
2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole has a molecular weight of 794.91 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[8-[3-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazole is sourced from PubChem (CID 58037476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).