3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol

C23H15FN2S — CID 175094318

IUPAC3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol
SMILESFc1ccc(-c2cc(S)c3c(c2)c2ccccc2n3-c2ccccn2)cc1
InChIInChI=1S/C23H15FN2S/c24-17-10-8-15(9-11-17)16-13-19-18-5-1-2-6-20(18)26(23(19)21(27)14-16)22-7-3-4-12-25-22/h1-14,27H
InChIKeyMWQAVRPULMLATM-UHFFFAOYSA-N
MW370.45 g/mol
LogP6.27
Rot. Bonds2

About 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol

3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol (PubChem CID 175094318) has the molecular formula C23H15FN2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol
PubChem CID175094318
Molecular FormulaC23H15FN2S
Molecular Weight370.45 g/mol
Exact Mass370.09
IUPAC Name3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol
SMILESFc1ccc(-c2cc(S)c3c(c2)c2ccccc2n3-c2ccccn2)cc1
InChIInChI=1S/C23H15FN2S/c24-17-10-8-15(9-11-17)16-13-19-18-5-1-2-6-20(18)26(23(19)21(27)14-16)22-7-3-4-12-25-22/h1-14,27H
InChIKeyMWQAVRPULMLATM-UHFFFAOYSA-N
XLogP6.27
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol?
The IUPAC name of 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol (CID 175094318) is 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol.
What is the SMILES notation for 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol?
The canonical SMILES for 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol is Fc1ccc(-c2cc(S)c3c(c2)c2ccccc2n3-c2ccccn2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol?
The InChIKey is MWQAVRPULMLATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2S/c24-17-10-8-15(9-11-17)16-13-19-18-5-1-2-6-20(18)26(23(19)21(27)14-16)22-7-3-4-12-25-22/h1-14,27H.
What are the key properties of 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol?
3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol has a molecular weight of 370.45 g/mol, XLogP of 6.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-9-pyridin-2-ylcarbazole-1-thiol is sourced from PubChem (CID 175094318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).