7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole

C25H14N2OS — CID 118502672

IUPAC7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2sc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc2c1
InChIInChI=1S/C25H14N2OS/c1-4-10-20-15(7-1)17-13-18-16-8-2-5-11-22(16)28-23(18)14-21(17)27(20)25-26-19-9-3-6-12-24(19)29-25/h1-14H
InChIKeyPCJOMJGQUNPQKH-UHFFFAOYSA-N
MW390.47 g/mol
LogP7.29
Rot. Bonds1

About 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole

7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 118502672) has the molecular formula C25H14N2OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID118502672
Molecular FormulaC25H14N2OS
Molecular Weight390.47 g/mol
Exact Mass390.08
IUPAC Name7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2sc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc2c1
InChIInChI=1S/C25H14N2OS/c1-4-10-20-15(7-1)17-13-18-16-8-2-5-11-22(16)28-23(18)14-21(17)27(20)25-26-19-9-3-6-12-24(19)29-25/h1-14H
InChIKeyPCJOMJGQUNPQKH-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-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453165
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454050
7-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502665
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
2-(3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-16-yl)-1,3-benzothiazole
CID 122465341
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631130
2-(16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122465359
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
CID 118503047
20-oxa-27-thia-2,9-diazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene
CID 140956676
30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361076

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 118502672) is 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc2sc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc2c1.
What is the InChIKey of 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is PCJOMJGQUNPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2OS/c1-4-10-20-15(7-1)17-13-18-16-8-2-5-11-22(16)28-23(18)14-21(17)27(20)25-26-19-9-3-6-12-24(19)29-25/h1-14H.
What are the key properties of 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole 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 7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 118502672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).