12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole

C25H14N2OS — CID 118502690

IUPAC12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(c1)oc1ccc3c4ccccc4n(-c4ccc5ncsc5c4)c3c12
InChIInChI=1S/C25H14N2OS/c1-3-7-20-16(5-1)17-10-12-22-24(18-6-2-4-8-21(18)28-22)25(17)27(20)15-9-11-19-23(13-15)29-14-26-19/h1-14H
InChIKeyWSLZTWKGGDEPMK-UHFFFAOYSA-N
MW390.47 g/mol
LogP7.29
Rot. Bonds1

About 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole

12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole (PubChem CID 118502690) has the molecular formula C25H14N2OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole
PubChem CID118502690
Molecular FormulaC25H14N2OS
Molecular Weight390.47 g/mol
Exact Mass390.08
IUPAC Name12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(c1)oc1ccc3c4ccccc4n(-c4ccc5ncsc5c4)c3c12
InChIInChI=1S/C25H14N2OS/c1-3-7-20-16(5-1)17-10-12-22-24(18-6-2-4-8-21(18)28-22)25(17)27(20)15-9-11-19-23(13-15)29-14-26-19/h1-14H
InChIKeyWSLZTWKGGDEPMK-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

6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole
CID 121298649
14-(1,3-benzothiazol-6-yl)-5-[3-[2-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155257350
12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 90324714
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
12-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 167259628
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 129141905
12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118580736
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
11-dibenzofuran-2-yl-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118501894

Frequently Asked Questions

What is the IUPAC name of 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole (CID 118502690) is 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole is c1ccc2c(c1)oc1ccc3c4ccccc4n(-c4ccc5ncsc5c4)c3c12.
What is the InChIKey of 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole?
The InChIKey is WSLZTWKGGDEPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2OS/c1-3-7-20-16(5-1)17-10-12-22-24(18-6-2-4-8-21(18)28-22)25(17)27(20)15-9-11-19-23(13-15)29-14-26-19/h1-14H.
What are the key properties of 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole?
12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]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 12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 118502690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).