2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole

C31H16N2O2S — CID 167453165

IUPAC2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1cc3c4ccccc4n(-c4nc5ccc6oc7ccccc7c6c5s4)c3cc12
InChIInChI=1S/C31H16N2O2S/c1-4-10-23-17(7-1)20-16-28-21(18-8-2-5-11-25(18)35-28)15-24(20)33(23)31-32-22-13-14-27-29(30(22)36-31)19-9-3-6-12-26(19)34-27/h1-16H
InChIKeyFATQPXBNAKXVDN-UHFFFAOYSA-N
MW480.55 g/mol
LogP9.19
Rot. Bonds1

About 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole

2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole (PubChem CID 167453165) has the molecular formula C31H16N2O2S and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
PubChem CID167453165
Molecular FormulaC31H16N2O2S
Molecular Weight480.55 g/mol
Exact Mass480.09
IUPAC Name2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1cc3c4ccccc4n(-c4nc5ccc6oc7ccccc7c6c5s4)c3cc12
InChIInChI=1S/C31H16N2O2S/c1-4-10-23-17(7-1)20-16-28-21(18-8-2-5-11-25(18)35-28)15-24(20)33(23)31-32-22-13-14-27-29(30(22)36-31)19-9-3-6-12-26(19)34-27/h1-16H
InChIKeyFATQPXBNAKXVDN-UHFFFAOYSA-N
XLogP9.19
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole with MolForge

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Related Compounds

2-([1]benzothiolo[2,3-b]carbazol-7-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167454050
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-(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
2-(2,5-diphenylcarbazol-9-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453364
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167454422
11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 130327477
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
11-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[3,2-b]carbazole
CID 129296855
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole (CID 167453165) is 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole is c1ccc2c(c1)oc1cc3c4ccccc4n(-c4nc5ccc6oc7ccccc7c6c5s4)c3cc12.
What is the InChIKey of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
The InChIKey is FATQPXBNAKXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16N2O2S/c1-4-10-23-17(7-1)20-16-28-21(18-8-2-5-11-25(18)35-28)15-24(20)33(23)31-32-22-13-14-27-29(30(22)36-31)19-9-3-6-12-26(19)34-27/h1-16H.
What are the key properties of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole?
2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole has a molecular weight of 480.55 g/mol, XLogP of 9.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167453165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).