2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole

C25H14N2OS — CID 118503047

IUPAC2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc2c1
InChIInChI=1S/C25H14N2OS/c1-4-10-20-15(7-1)17-13-18-16-8-2-6-12-23(16)29-24(18)14-21(17)27(20)25-26-19-9-3-5-11-22(19)28-25/h1-14H
InChIKeyIJQJAJBUNUNVFN-UHFFFAOYSA-N
MW390.47 g/mol
LogP7.29
Rot. Bonds1

About 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole

2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole (PubChem CID 118503047) has the molecular formula C25H14N2OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
PubChem CID118503047
Molecular FormulaC25H14N2OS
Molecular Weight390.47 g/mol
Exact Mass390.08
IUPAC Name2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc2c1
InChIInChI=1S/C25H14N2OS/c1-4-10-20-15(7-1)17-13-18-16-8-2-6-12-23(16)29-24(18)14-21(17)27(20)25-26-19-9-3-5-11-22(19)28-25/h1-14H
InChIKeyIJQJAJBUNUNVFN-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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Related Compounds

2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
CID 146370377
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454050
2-(22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-12-yl)-1,3-benzoxazole
CID 118502072
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 177252934
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
CID 177074713
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
CID 118502310
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333587
2-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole
CID 162481679

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole?
The IUPAC name of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole (CID 118503047) is 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole?
The canonical SMILES for 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole is c1ccc2oc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc2c1.
What is the InChIKey of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole?
The InChIKey is IJQJAJBUNUNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2OS/c1-4-10-20-15(7-1)17-13-18-16-8-2-6-12-23(16)29-24(18)14-21(17)27(20)25-26-19-9-3-5-11-22(19)28-25/h1-14H.
What are the key properties of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole?
2-([1]benzothiolo[2,3-b]carbazol-7-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[2,3-b]carbazol-7-yl)-1,3-benzoxazole is sourced from PubChem (CID 118503047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).