2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole

C31H20N2OS — CID 167454006

IUPAC2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)cc1)S3
InChIInChI=1S/C31H20N2OS/c1-4-10-24-21(7-1)22-8-2-5-11-25(22)33(24)20-15-13-19(14-16-20)31-32-30-28(35-31)18-17-27-29(30)23-9-3-6-12-26(23)34-27/h1-18,31-32H
InChIKeyXFSLWJKUPLWWMI-UHFFFAOYSA-N
MW468.58 g/mol
LogP8.90
Rot. Bonds2

About 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole

2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole (PubChem CID 167454006) has the molecular formula C31H20N2OS and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole
PubChem CID167454006
Molecular FormulaC31H20N2OS
Molecular Weight468.58 g/mol
Exact Mass468.13
IUPAC Name2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)cc1)S3
InChIInChI=1S/C31H20N2OS/c1-4-10-24-21(7-1)22-8-2-5-11-25(22)33(24)20-15-13-19(14-16-20)31-32-30-28(35-31)18-17-27-29(30)23-9-3-6-12-26(23)34-27/h1-18,31-32H
InChIKeyXFSLWJKUPLWWMI-UHFFFAOYSA-N
XLogP8.90
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453195
2-(4-benzo[b]carbazol-5-ylphenyl)-8-phenyl-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167453324
2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453052
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
14-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-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-nonaene
CID 145390759
2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453721
2-phenyl-9-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 126613502
2-phenyl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)pyrimidin-2-yl]-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 145261293
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole (CID 167454006) is 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole is c1ccc2c(c1)oc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)cc1)S3.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole?
The InChIKey is XFSLWJKUPLWWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2OS/c1-4-10-24-21(7-1)22-8-2-5-11-25(22)33(24)20-15-13-19(14-16-20)31-32-30-28(35-31)18-17-27-29(30)23-9-3-6-12-26(23)34-27/h1-18,31-32H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole?
2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole has a molecular weight of 468.58 g/mol, XLogP of 8.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 167454006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).