7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole

C29H17NOS — CID 138633662

IUPAC7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole
SMILESc1ccc(-c2nc3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3s2)cc1
InChIInChI=1S/C29H17NOS/c1-2-7-18(8-3-1)29-30-25-16-14-20-17-19(13-15-22(20)28(25)32-29)21-10-6-11-24-23-9-4-5-12-26(23)31-27(21)24/h1-17H
InChIKeyVGEUSKGCUJDIHE-UHFFFAOYSA-N
MW427.53 g/mol
LogP8.68
Rot. Bonds2

About 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole

7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole (PubChem CID 138633662) has the molecular formula C29H17NOS and a molecular weight of 427.53 g/mol. Its IUPAC name is 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole
PubChem CID138633662
Molecular FormulaC29H17NOS
Molecular Weight427.53 g/mol
Exact Mass427.10
IUPAC Name7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole
SMILESc1ccc(-c2nc3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3s2)cc1
InChIInChI=1S/C29H17NOS/c1-2-7-18(8-3-1)29-30-25-16-14-20-17-19(13-15-22(20)28(25)32-29)21-10-6-11-24-23-9-4-5-12-26(23)31-27(21)24/h1-17H
InChIKeyVGEUSKGCUJDIHE-UHFFFAOYSA-N
XLogP8.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[1,2-g][1,3]benzothiazol-6-amine
CID 174294431
7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole
CID 138633704
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
2-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzothiazole
CID 138633562
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
CID 139327756
4-[4,7-bis(4-dibenzofuran-4-ylphenyl)-1,3-benzothiazol-2-yl]-N,N-diphenylaniline
CID 121425766
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756575

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole?
The IUPAC name of 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole (CID 138633662) is 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole.
What is the SMILES notation for 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole?
The canonical SMILES for 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole is c1ccc(-c2nc3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3s2)cc1.
What is the InChIKey of 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole?
The InChIKey is VGEUSKGCUJDIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17NOS/c1-2-7-18(8-3-1)29-30-25-16-14-20-17-19(13-15-22(20)28(25)32-29)21-10-6-11-24-23-9-4-5-12-26(23)31-27(21)24/h1-17H.
What are the key properties of 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole?
7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole has a molecular weight of 427.53 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole is sourced from PubChem (CID 138633662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).