2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole

C25H14N2OS — CID 118503052

IUPAC2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)nc2c1
InChIInChI=1S/C25H14N2OS/c1-4-10-19-17(8-1)23-20(27(19)25-26-18-9-3-5-11-21(18)28-25)14-13-16-15-7-2-6-12-22(15)29-24(16)23/h1-14H
InChIKeyZWYOOJMYKPCMCD-UHFFFAOYSA-N
MW390.47 g/mol
LogP7.29
Rot. Bonds1

About 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole

2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole (PubChem CID 118503052) has the molecular formula C25H14N2OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole
PubChem CID118503052
Molecular FormulaC25H14N2OS
Molecular Weight390.47 g/mol
Exact Mass390.08
IUPAC Name2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)nc2c1
InChIInChI=1S/C25H14N2OS/c1-4-10-19-17(8-1)23-20(27(19)25-26-18-9-3-5-11-21(18)28-25)14-13-16-15-7-2-6-12-22(15)29-24(16)23/h1-14H
InChIKeyZWYOOJMYKPCMCD-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 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole (CID 118503052) is 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole is c1ccc2oc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)nc2c1.
What is the InChIKey of 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?
The InChIKey is ZWYOOJMYKPCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2OS/c1-4-10-19-17(8-1)23-20(27(19)25-26-18-9-3-5-11-21(18)28-25)14-13-16-15-7-2-6-12-22(15)29-24(16)23/h1-14H.
What are the key properties of 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?
2-([1]benzothiolo[3,2-c]carbazol-5-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 2-([1]benzothiolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 118503052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).