4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole

C25H14N2OS — CID 118502969

IUPAC4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole
SMILESc1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c2ncoc2c1
InChIInChI=1S/C25H14N2OS/c1-3-8-19-15(6-1)17-12-13-18-16-7-2-4-11-22(16)29-25(18)24(17)27(19)20-9-5-10-21-23(20)26-14-28-21/h1-14H
InChIKeyFOWGUDFPNWCEGJ-UHFFFAOYSA-N
MW390.47 g/mol
LogP7.29
Rot. Bonds1

About 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole

4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole (PubChem CID 118502969) has the molecular formula C25H14N2OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole
PubChem CID118502969
Molecular FormulaC25H14N2OS
Molecular Weight390.47 g/mol
Exact Mass390.08
IUPAC Name4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole
SMILESc1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c2ncoc2c1
InChIInChI=1S/C25H14N2OS/c1-3-8-19-15(6-1)17-12-13-18-16-7-2-4-11-22(16)29-25(18)24(17)27(19)20-9-5-10-21-23(20)26-14-28-21/h1-14H
InChIKeyFOWGUDFPNWCEGJ-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 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole?
The IUPAC name of 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole (CID 118502969) is 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole?
The canonical SMILES for 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole is c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c2ncoc2c1.
What is the InChIKey of 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole?
The InChIKey is FOWGUDFPNWCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2OS/c1-3-8-19-15(6-1)17-12-13-18-16-7-2-4-11-22(16)29-25(18)24(17)27(19)20-9-5-10-21-23(20)26-14-28-21/h1-14H.
What are the key properties of 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole?
4-([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 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-1,3-benzoxazole is sourced from PubChem (CID 118502969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).