2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole

C37H20N2O2S — CID 163979910

IUPAC2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4nc5sc6ccc(-c7ccc8oc9ccccc9c8c7)cc6n5c4c3)cc12
InChIInChI=1S/C37H20N2O2S/c1-3-7-32-25(5-1)27-17-21(10-14-34(27)40-32)23-9-13-29-30(19-23)39-31-20-24(12-16-36(31)42-37(39)38-29)22-11-15-35-28(18-22)26-6-2-4-8-33(26)41-35/h1-20H
InChIKeySXMAGDATOPJQCO-UHFFFAOYSA-N
MW556.65 g/mol
LogP10.84
Rot. Bonds2

About 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole

2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole (PubChem CID 163979910) has the molecular formula C37H20N2O2S and a molecular weight of 556.65 g/mol. Its IUPAC name is 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole
PubChem CID163979910
Molecular FormulaC37H20N2O2S
Molecular Weight556.65 g/mol
Exact Mass556.12
IUPAC Name2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4nc5sc6ccc(-c7ccc8oc9ccccc9c8c7)cc6n5c4c3)cc12
InChIInChI=1S/C37H20N2O2S/c1-3-7-32-25(5-1)27-17-21(10-14-34(27)40-32)23-9-13-29-30(19-23)39-31-20-24(12-16-36(31)42-37(39)38-29)22-11-15-35-28(18-22)26-6-2-4-8-33(26)41-35/h1-20H
InChIKeySXMAGDATOPJQCO-UHFFFAOYSA-N
XLogP10.84
TPSA43.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723051
1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole
CID 138539007
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
CID 170670772
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
15-dibenzofuran-2-yl-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577892
16-dibenzofuran-2-yl-9-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13(18),14,16,20,22,24,26,28-tetradecaene
CID 129092667
4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112

Frequently Asked Questions

What is the IUPAC name of 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole (CID 163979910) is 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole is c1ccc2c(c1)oc1ccc(-c3ccc4nc5sc6ccc(-c7ccc8oc9ccccc9c8c7)cc6n5c4c3)cc12.
What is the InChIKey of 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole?
The InChIKey is SXMAGDATOPJQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2O2S/c1-3-7-32-25(5-1)27-17-21(10-14-34(27)40-32)23-9-13-29-30(19-23)39-31-20-24(12-16-36(31)42-37(39)38-29)22-11-15-35-28(18-22)26-6-2-4-8-33(26)41-35/h1-20H.
What are the key properties of 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole?
2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole has a molecular weight of 556.65 g/mol, XLogP of 10.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 163979910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).