6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole

C36H20FNOS — CID 146368869

IUPAC6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
SMILESFc1ccc2c3cc(-c4cccc5c4oc4ccccc45)ccc3n(-c3ccc4sc5ccccc5c4c3)c2c1
InChIInChI=1S/C36H20FNOS/c37-22-13-15-25-29-18-21(24-8-5-9-28-26-6-1-3-10-33(26)39-36(24)28)12-16-31(29)38(32(25)19-22)23-14-17-35-30(20-23)27-7-2-4-11-34(27)40-35/h1-20H
InChIKeyVOSCTRMEJMOCMW-UHFFFAOYSA-N
MW533.63 g/mol
LogP10.86
Rot. Bonds2

About 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole

6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole (PubChem CID 146368869) has the molecular formula C36H20FNOS and a molecular weight of 533.63 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
PubChem CID146368869
Molecular FormulaC36H20FNOS
Molecular Weight533.63 g/mol
Exact Mass533.12
IUPAC Name6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
SMILESFc1ccc2c3cc(-c4cccc5c4oc4ccccc45)ccc3n(-c3ccc4sc5ccccc5c4c3)c2c1
InChIInChI=1S/C36H20FNOS/c37-22-13-15-25-29-18-21(24-8-5-9-28-26-6-1-3-10-33(26)39-36(24)28)12-16-31(29)38(32(25)19-22)23-14-17-35-30(20-23)27-7-2-4-11-34(27)40-35/h1-20H
InChIKeyVOSCTRMEJMOCMW-UHFFFAOYSA-N
XLogP10.86
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole?
The IUPAC name of 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole (CID 146368869) is 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole.
What is the SMILES notation for 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole?
The canonical SMILES for 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole is Fc1ccc2c3cc(-c4cccc5c4oc4ccccc45)ccc3n(-c3ccc4sc5ccccc5c4c3)c2c1.
What is the InChIKey of 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole?
The InChIKey is VOSCTRMEJMOCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20FNOS/c37-22-13-15-25-29-18-21(24-8-5-9-28-26-6-1-3-10-33(26)39-36(24)28)12-16-31(29)38(32(25)19-22)23-14-17-35-30(20-23)27-7-2-4-11-34(27)40-35/h1-20H.
What are the key properties of 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole?
6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole has a molecular weight of 533.63 g/mol, XLogP of 10.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole is sourced from PubChem (CID 146368869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).