1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine

C35H20FN3S — CID 170226798

IUPAC1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine
SMILESFc1ccc2sc3c(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nccc3c2c1
InChIInChI=1S/C35H20FN3S/c36-21-16-17-32-27(20-21)26-18-19-37-35(34(26)40-32)39-30-14-6-3-10-24(30)25-11-7-15-31(33(25)39)38-28-12-4-1-8-22(28)23-9-2-5-13-29(23)38/h1-20H
InChIKeyOAYOGZNBXLDVCQ-UHFFFAOYSA-N
MW533.63 g/mol
LogP9.78
Rot. Bonds2

About 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine

1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine (PubChem CID 170226798) has the molecular formula C35H20FN3S and a molecular weight of 533.63 g/mol. Its IUPAC name is 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine
PubChem CID170226798
Molecular FormulaC35H20FN3S
Molecular Weight533.63 g/mol
Exact Mass533.14
IUPAC Name1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine
SMILESFc1ccc2sc3c(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nccc3c2c1
InChIInChI=1S/C35H20FN3S/c36-21-16-17-32-27(20-21)26-18-19-37-35(34(26)40-32)39-30-14-6-3-10-24(30)25-11-7-15-31(33(25)39)38-28-12-4-1-8-22(28)23-9-2-5-13-29(23)38/h1-20H
InChIKeyOAYOGZNBXLDVCQ-UHFFFAOYSA-N
XLogP9.78
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine (CID 170226798) is 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine is Fc1ccc2sc3c(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)nccc3c2c1.
What is the InChIKey of 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is OAYOGZNBXLDVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20FN3S/c36-21-16-17-32-27(20-21)26-18-19-37-35(34(26)40-32)39-30-14-6-3-10-24(30)25-11-7-15-31(33(25)39)38-28-12-4-1-8-22(28)23-9-2-5-13-29(23)38/h1-20H.
What are the key properties of 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine?
1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 533.63 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 170226798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).