5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole

C37H21FN4O — CID 121419639

IUPAC5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1
InChIInChI=1S/C37H21FN4O/c38-27-9-7-15-33-36(27)24-8-1-3-11-29(24)40(33)22-16-18-34-25(20-22)26-21-23(17-19-35(26)43-34)41-31-13-5-6-14-32(31)42-30-12-4-2-10-28(30)39-37(41)42/h1-21H
InChIKeyVJEHAKXYLZSLRC-UHFFFAOYSA-N
MW556.60 g/mol
LogP9.57
Rot. Bonds2

About 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole

5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 121419639) has the molecular formula C37H21FN4O and a molecular weight of 556.60 g/mol. Its IUPAC name is 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID121419639
Molecular FormulaC37H21FN4O
Molecular Weight556.60 g/mol
Exact Mass556.17
IUPAC Name5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1
InChIInChI=1S/C37H21FN4O/c38-27-9-7-15-33-36(27)24-8-1-3-11-29(24)40(33)22-16-18-34-25(20-22)26-21-23(17-19-35(26)43-34)41-31-13-5-6-14-32(31)42-30-12-4-2-10-28(30)39-37(41)42/h1-21H
InChIKeyVJEHAKXYLZSLRC-UHFFFAOYSA-N
XLogP9.57
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.60
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole (CID 121419639) is 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole is Fc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1.
What is the InChIKey of 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is VJEHAKXYLZSLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21FN4O/c38-27-9-7-15-33-36(27)24-8-1-3-11-29(24)40(33)22-16-18-34-25(20-22)26-21-23(17-19-35(26)43-34)41-31-13-5-6-14-32(31)42-30-12-4-2-10-28(30)39-37(41)42/h1-21H.
What are the key properties of 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 556.60 g/mol, XLogP of 9.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 121419639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).