5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

C50H30N6O — CID 90090655

IUPAC5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7n7c8ccccc8nc67)c5)cc4c3c2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C50H30N6O/c1-3-17-41-39(15-1)51-49-53(43-19-5-7-21-45(43)55(41)49)35-13-9-11-31(27-35)33-23-25-47-37(29-33)38-30-34(24-26-48(38)57-47)32-12-10-14-36(28-32)54-44-20-6-8-22-46(44)56-42-18-4-2-16-40(42)52-50(54)56/h1-30H
InChIKeyOLSDNQMWZWVVTI-UHFFFAOYSA-N
MW730.83 g/mol
LogP12.41
Rot. Bonds4

About 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 90090655) has the molecular formula C50H30N6O and a molecular weight of 730.83 g/mol. Its IUPAC name is 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID90090655
Molecular FormulaC50H30N6O
Molecular Weight730.83 g/mol
Exact Mass730.25
IUPAC Name5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7n7c8ccccc8nc67)c5)cc4c3c2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C50H30N6O/c1-3-17-41-39(15-1)51-49-53(43-19-5-7-21-45(43)55(41)49)35-13-9-11-31(27-35)33-23-25-47-37(29-33)38-30-34(24-26-48(38)57-47)32-12-10-14-36(28-32)54-44-20-6-8-22-46(44)56-42-18-4-2-16-40(42)52-50(54)56/h1-30H
InChIKeyOLSDNQMWZWVVTI-UHFFFAOYSA-N
XLogP12.41
TPSA57.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 90090655) is 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is c1cc(-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7n7c8ccccc8nc67)c5)cc4c3c2)cc(-n2c3ccccc3n3c4ccccc4nc23)c1.
What is the InChIKey of 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is OLSDNQMWZWVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N6O/c1-3-17-41-39(15-1)51-49-53(43-19-5-7-21-45(43)55(41)49)35-13-9-11-31(27-35)33-23-25-47-37(29-33)38-30-34(24-26-48(38)57-47)32-12-10-14-36(28-32)54-44-20-6-8-22-46(44)56-42-18-4-2-16-40(42)52-50(54)56/h1-30H.
What are the key properties of 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 730.83 g/mol, XLogP of 12.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 90090655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).