2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole

C31H16N2OS2 — CID 167454050

IUPAC2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1ccc3nc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)sc3c12
InChIInChI=1S/C31H16N2OS2/c1-4-10-23-17(7-1)20-15-21-18-8-3-6-12-27(18)35-28(21)16-24(20)33(23)31-32-22-13-14-26-29(30(22)36-31)19-9-2-5-11-25(19)34-26/h1-16H
InChIKeyFOUSJEYPVOAKRV-UHFFFAOYSA-N
MW496.62 g/mol
LogP9.66
Rot. Bonds1

About 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole

2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole (PubChem CID 167454050) has the molecular formula C31H16N2OS2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
PubChem CID167454050
Molecular FormulaC31H16N2OS2
Molecular Weight496.62 g/mol
Exact Mass496.07
IUPAC Name2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1ccc3nc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)sc3c12
InChIInChI=1S/C31H16N2OS2/c1-4-10-23-17(7-1)20-15-21-18-8-3-6-12-27(18)35-28(21)16-24(20)33(23)31-32-22-13-14-26-29(30(22)36-31)19-9-2-5-11-25(19)34-26/h1-16H
InChIKeyFOUSJEYPVOAKRV-UHFFFAOYSA-N
XLogP9.66
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole with MolForge

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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-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453696
2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454496
7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502672
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
CID 118503047
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333587
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 174338751
7-(4-dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129225008
7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 177252934
2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453364
2-(2-benzo[b]carbazol-5-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 174338800
7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223424

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole (CID 167454050) is 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole is c1ccc2c(c1)oc1ccc3nc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)sc3c12.
What is the InChIKey of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The InChIKey is FOUSJEYPVOAKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16N2OS2/c1-4-10-23-17(7-1)20-15-21-18-8-3-6-12-27(18)35-28(21)16-24(20)33(23)31-32-22-13-14-26-29(30(22)36-31)19-9-2-5-11-25(19)34-26/h1-16H.
What are the key properties of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole has a molecular weight of 496.62 g/mol, XLogP of 9.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167454050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).