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

C37H21FN4S — CID 121419655

IUPAC5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5n5c6ccccc6nc45)cccc3c2c1
InChIInChI=1S/C37H21FN4S/c38-26-11-8-17-32-35(26)24-9-1-3-13-28(24)40(32)22-19-20-34-25(21-22)23-10-7-18-33(36(23)43-34)42-31-16-6-5-15-30(31)41-29-14-4-2-12-27(29)39-37(41)42/h1-21H
InChIKeyUZBDHGIJUOPSDI-UHFFFAOYSA-N
MW572.67 g/mol
LogP10.04
Rot. Bonds2

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

5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 121419655) has the molecular formula C37H21FN4S and a molecular weight of 572.67 g/mol. Its IUPAC name is 5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID121419655
Molecular FormulaC37H21FN4S
Molecular Weight572.67 g/mol
Exact Mass572.15
IUPAC Name5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole
SMILESFc1cccc2c1c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5n5c6ccccc6nc45)cccc3c2c1
InChIInChI=1S/C37H21FN4S/c38-26-11-8-17-32-35(26)24-9-1-3-13-28(24)40(32)22-19-20-34-25(21-22)23-10-7-18-33(36(23)43-34)42-31-16-6-5-15-30(31)41-29-14-4-2-12-27(29)39-37(41)42/h1-21H
InChIKeyUZBDHGIJUOPSDI-UHFFFAOYSA-N
XLogP10.04
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 510.04
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)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole (CID 121419655) is 5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole is Fc1cccc2c1c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5n5c6ccccc6nc45)cccc3c2c1.
What is the InChIKey of 5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is UZBDHGIJUOPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21FN4S/c38-26-11-8-17-32-35(26)24-9-1-3-13-28(24)40(32)22-19-20-34-25(21-22)23-10-7-18-33(36(23)43-34)42-31-16-6-5-15-30(31)41-29-14-4-2-12-27(29)39-37(41)42/h1-21H.
What are the key properties of 5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole?
5-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 572.67 g/mol, XLogP of 10.04, 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)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 121419655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).