[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite

C36H20FNO2S — CID 145360930

IUPAC[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite
SMILESFSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)cc3c12
InChIInChI=1S/C36H20FNO2S/c37-41-34-14-6-13-33-35(34)27-20-22(16-18-32(27)39-33)21-15-17-29-26(19-21)23-7-1-3-10-28(23)38(29)30-11-5-9-25-24-8-2-4-12-31(24)40-36(25)30/h1-20H
InChIKeyWZXWOPXNENSZKU-UHFFFAOYSA-N
MW549.63 g/mol
LogP11.23
Rot. Bonds3

About [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite

[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite (PubChem CID 145360930) has the molecular formula C36H20FNO2S and a molecular weight of 549.63 g/mol. Its IUPAC name is [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite
PubChem CID145360930
Molecular FormulaC36H20FNO2S
Molecular Weight549.63 g/mol
Exact Mass549.12
IUPAC Name[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite
SMILESFSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)cc3c12
InChIInChI=1S/C36H20FNO2S/c37-41-34-14-6-13-33-35(34)27-20-22(16-18-32(27)39-33)21-15-17-29-26(19-21)23-7-1-3-10-28(23)38(29)30-11-5-9-25-24-8-2-4-12-31(24)40-36(25)30/h1-20H
InChIKeyWZXWOPXNENSZKU-UHFFFAOYSA-N
XLogP11.23
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite?
The IUPAC name of [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite (CID 145360930) is [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite.
What is the SMILES notation for [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite?
The canonical SMILES for [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite is FSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)cc3c12.
What is the InChIKey of [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite?
The InChIKey is WZXWOPXNENSZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20FNO2S/c37-41-34-14-6-13-33-35(34)27-20-22(16-18-32(27)39-33)21-15-17-29-26(19-21)23-7-1-3-10-28(23)38(29)30-11-5-9-25-24-8-2-4-12-31(24)40-36(25)30/h1-20H.
What are the key properties of [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite?
[8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite has a molecular weight of 549.63 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(9-dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite is sourced from PubChem (CID 145360930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).