4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole

C62H37N3O2S — CID 121425797

IUPAC4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc(-n2c(-c3ccc(-c4nc5c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c5s4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C62H37N3O2S/c1-2-10-46(11-3-1)65-54-15-7-6-14-53(54)63-61(65)42-26-28-43(29-27-42)62-64-59-47(40-22-18-38(19-23-40)44-30-34-57-51(36-44)49-12-4-8-16-55(49)66-57)32-33-48(60(59)68-62)41-24-20-39(21-25-41)45-31-35-58-52(37-45)50-13-5-9-17-56(50)67-58/h1-37H
InChIKeyWIAGRJHWLSPRAD-UHFFFAOYSA-N
MW888.06 g/mol
LogP17.44
Rot. Bonds7

About 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole

4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole (PubChem CID 121425797) has the molecular formula C62H37N3O2S and a molecular weight of 888.06 g/mol. Its IUPAC name is 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
PubChem CID121425797
Molecular FormulaC62H37N3O2S
Molecular Weight888.06 g/mol
Exact Mass887.26
IUPAC Name4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc(-n2c(-c3ccc(-c4nc5c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c5s4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C62H37N3O2S/c1-2-10-46(11-3-1)65-54-15-7-6-14-53(54)63-61(65)42-26-28-43(29-27-42)62-64-59-47(40-22-18-38(19-23-40)44-30-34-57-51(36-44)49-12-4-8-16-55(49)66-57)32-33-48(60(59)68-62)41-24-20-39(21-25-41)45-31-35-58-52(37-45)50-13-5-9-17-56(50)67-58/h1-37H
InChIKeyWIAGRJHWLSPRAD-UHFFFAOYSA-N
XLogP17.44
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.06
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
4-[4,7-bis(4-dibenzofuran-2-ylphenyl)-1,3-benzothiazol-2-yl]-N,N-diphenylaniline
CID 121425802
4,7-bis(4-dibenzofuran-2-ylphenyl)-2-(4-dibenzothiophen-2-ylphenyl)-1,3-benzothiazole
CID 121425781
4,7-bis[4-(2,6-diphenyl-3-pyridinyl)phenyl]-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425865
2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole
CID 162043532
6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129085971
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685
2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 118503477
2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-[8-[4-[6-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]imidazo[1,2-a]pyridine
CID 137465849
2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 171812807
4,7-bis[4-(2,6-diphenyl-3-pyridinyl)phenyl]-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole
CID 121425864

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole (CID 121425797) is 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole is c1ccc(-n2c(-c3ccc(-c4nc5c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c5s4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole?
The InChIKey is WIAGRJHWLSPRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N3O2S/c1-2-10-46(11-3-1)65-54-15-7-6-14-53(54)63-61(65)42-26-28-43(29-27-42)62-64-59-47(40-22-18-38(19-23-40)44-30-34-57-51(36-44)49-12-4-8-16-55(49)66-57)32-33-48(60(59)68-62)41-24-20-39(21-25-41)45-31-35-58-52(37-45)50-13-5-9-17-56(50)67-58/h1-37H.
What are the key properties of 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole?
4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole has a molecular weight of 888.06 g/mol, XLogP of 17.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 121425797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).