5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole

C28H15N3OS — CID 134351403

IUPAC5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc2c(c1)sc1nccnc12
InChIInChI=1S/C28H15N3OS/c1-3-7-21-19(6-1)25-22(12-11-18-17-5-2-4-8-23(17)32-27(18)25)31(21)16-9-10-20-24(15-16)33-28-26(20)29-13-14-30-28/h1-15H
InChIKeyVAWCHHIVHRZSJQ-UHFFFAOYSA-N
MW441.52 g/mol
LogP7.84
Rot. Bonds1

About 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole

5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 134351403) has the molecular formula C28H15N3OS and a molecular weight of 441.52 g/mol. Its IUPAC name is 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID134351403
Molecular FormulaC28H15N3OS
Molecular Weight441.52 g/mol
Exact Mass441.09
IUPAC Name5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc2c(c1)sc1nccnc12
InChIInChI=1S/C28H15N3OS/c1-3-7-21-19(6-1)25-22(12-11-18-17-5-2-4-8-23(17)32-27(18)25)31(21)16-9-10-20-24(15-16)33-28-26(20)29-13-14-30-28/h1-15H
InChIKeyVAWCHHIVHRZSJQ-UHFFFAOYSA-N
XLogP7.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole (CID 134351403) is 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc2c(c1)sc1nccnc12.
What is the InChIKey of 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is VAWCHHIVHRZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15N3OS/c1-3-7-21-19(6-1)25-22(12-11-18-17-5-2-4-8-23(17)32-27(18)25)31(21)16-9-10-20-24(15-16)33-28-26(20)29-13-14-30-28/h1-15H.
What are the key properties of 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole?
5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 441.52 g/mol, XLogP of 7.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1]benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 134351403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).