2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole

C47H25N5O2S2 — CID 176740380

IUPAC2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc(-c4nc5ccccc5s4)c3)nc2c1
InChIInChI=1S/C47H25N5O2S2/c1-5-13-37-31(9-1)33-24-26(17-19-39(33)53-37)43-50-44(27-18-20-40-34(25-27)32-10-2-6-14-38(32)54-40)52-45(51-43)28-21-29(46-48-35-11-3-7-15-41(35)55-46)23-30(22-28)47-49-36-12-4-8-16-42(36)56-47/h1-25H
InChIKeyWGIILLLNHUCPFZ-UHFFFAOYSA-N
MW755.88 g/mol
LogP13.22
Rot. Bonds5

About 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole

2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole (PubChem CID 176740380) has the molecular formula C47H25N5O2S2 and a molecular weight of 755.88 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
PubChem CID176740380
Molecular FormulaC47H25N5O2S2
Molecular Weight755.88 g/mol
Exact Mass755.14
IUPAC Name2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc(-c4nc5ccccc5s4)c3)nc2c1
InChIInChI=1S/C47H25N5O2S2/c1-5-13-37-31(9-1)33-24-26(17-19-39(33)53-37)43-50-44(27-18-20-40-34(25-27)32-10-2-6-14-38(32)54-40)52-45(51-43)28-21-29(46-48-35-11-3-7-15-41(35)55-46)23-30(22-28)47-49-36-12-4-8-16-42(36)56-47/h1-25H
InChIKeyWGIILLLNHUCPFZ-UHFFFAOYSA-N
XLogP13.22
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.88
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole
CID 158470283
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
2-[3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 148553288
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1,3-benzothiazole;2-[3-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1,3-benzothiazole;2-[3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1,3-benzothiazole;2-[3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1,3-benzothiazole
CID 161014301
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 147919210
2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 155356603
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzothiazole;2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzothiazole
CID 157194991
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-1,3-benzothiazole
CID 147663496
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
2-[3-(1,3-benzothiazol-2-yl)-5-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-1,3-benzothiazole
CID 164804032
2-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628827
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole (CID 176740380) is 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole is c1ccc2sc(-c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc(-c4nc5ccccc5s4)c3)nc2c1.
What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole?
The InChIKey is WGIILLLNHUCPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H25N5O2S2/c1-5-13-37-31(9-1)33-24-26(17-19-39(33)53-37)43-50-44(27-18-20-40-34(25-27)32-10-2-6-14-38(32)54-40)52-45(51-43)28-21-29(46-48-35-11-3-7-15-41(35)55-46)23-30(22-28)47-49-36-12-4-8-16-42(36)56-47/h1-25H.
What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole?
2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole has a molecular weight of 755.88 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzothiazol-2-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 176740380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).