6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole

C25H14N2OS — CID 118502923

IUPAC6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)sc1c2ccc2c3ccccc3n(-c3ccc4ncoc4c3)c21
InChIInChI=1S/C25H14N2OS/c1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-23(17)29-25(19)24(18)27(21)15-9-12-20-22(13-15)28-14-26-20/h1-14H
InChIKeyIPDINXSUISHDNU-UHFFFAOYSA-N
MW390.47 g/mol
LogP7.29
Rot. Bonds1

About 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole

6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole (PubChem CID 118502923) has the molecular formula C25H14N2OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole
PubChem CID118502923
Molecular FormulaC25H14N2OS
Molecular Weight390.47 g/mol
Exact Mass390.08
IUPAC Name6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)sc1c2ccc2c3ccccc3n(-c3ccc4ncoc4c3)c21
InChIInChI=1S/C25H14N2OS/c1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-23(17)29-25(19)24(18)27(21)15-9-12-20-22(13-15)28-14-26-20/h1-14H
InChIKeyIPDINXSUISHDNU-UHFFFAOYSA-N
XLogP7.29
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.47
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole?
The IUPAC name of 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole (CID 118502923) is 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole?
The canonical SMILES for 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole is c1ccc2c(c1)sc1c2ccc2c3ccccc3n(-c3ccc4ncoc4c3)c21.
What is the InChIKey of 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole?
The InChIKey is IPDINXSUISHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2OS/c1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-23(17)29-25(19)24(18)27(21)15-9-12-20-22(13-15)28-14-26-20/h1-14H.
What are the key properties of 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole?
6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole has a molecular weight of 390.47 g/mol, XLogP of 7.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole is sourced from PubChem (CID 118502923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).