9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine

C35H22FN3S — CID 146661577

IUPAC9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine
SMILESFc1ccccc1-c1ccccc1Nc1cccc2c3ccccc3n(-c3nccc4c3sc3ccccc34)c12
InChIInChI=1S/C35H22FN3S/c36-28-15-5-1-10-22(28)23-11-2-6-16-29(23)38-30-17-9-14-26-24-12-3-7-18-31(24)39(33(26)30)35-34-27(20-21-37-35)25-13-4-8-19-32(25)40-34/h1-21,38H
InChIKeyUZIKYFYGRGWVLD-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.10
Rot. Bonds4

About 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine

9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine (PubChem CID 146661577) has the molecular formula C35H22FN3S and a molecular weight of 535.65 g/mol. Its IUPAC name is 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine.

Molecular Properties

Compound Name9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine
PubChem CID146661577
Molecular FormulaC35H22FN3S
Molecular Weight535.65 g/mol
Exact Mass535.15
IUPAC Name9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine
SMILESFc1ccccc1-c1ccccc1Nc1cccc2c3ccccc3n(-c3nccc4c3sc3ccccc34)c12
InChIInChI=1S/C35H22FN3S/c36-28-15-5-1-10-22(28)23-11-2-6-16-29(23)38-30-17-9-14-26-24-12-3-7-18-31(24)39(33(26)30)35-34-27(20-21-37-35)25-13-4-8-19-32(25)40-34/h1-21,38H
InChIKeyUZIKYFYGRGWVLD-UHFFFAOYSA-N
XLogP10.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine?
The IUPAC name of 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine (CID 146661577) is 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine.
What is the SMILES notation for 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine?
The canonical SMILES for 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine is Fc1ccccc1-c1ccccc1Nc1cccc2c3ccccc3n(-c3nccc4c3sc3ccccc34)c12.
What is the InChIKey of 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine?
The InChIKey is UZIKYFYGRGWVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22FN3S/c36-28-15-5-1-10-22(28)23-11-2-6-16-29(23)38-30-17-9-14-26-24-12-3-7-18-31(24)39(33(26)30)35-34-27(20-21-37-35)25-13-4-8-19-32(25)40-34/h1-21,38H.
What are the key properties of 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine?
9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine has a molecular weight of 535.65 g/mol, XLogP of 10.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine is sourced from PubChem (CID 146661577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).