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

C52H30N4OS2 — CID 155356603

IUPAC2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc(-c7nc8ccccc8s7)cc6)cc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C52H30N4OS2/c1-2-10-32(11-3-1)49-54-50(56-51(55-49)37-24-26-40-39-14-4-6-18-44(39)57-45(40)30-37)36-13-8-12-35(28-36)38-15-9-16-41-42-29-34(25-27-46(42)58-48(38)41)31-20-22-33(23-21-31)52-53-43-17-5-7-19-47(43)59-52/h1-30H
InChIKeyYSYFBZUKZUDJJZ-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.75
Rot. Bonds6

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

2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole (PubChem CID 155356603) has the molecular formula C52H30N4OS2 and a molecular weight of 790.97 g/mol. Its IUPAC name is 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
PubChem CID155356603
Molecular FormulaC52H30N4OS2
Molecular Weight790.97 g/mol
Exact Mass790.19
IUPAC Name2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc(-c7nc8ccccc8s7)cc6)cc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C52H30N4OS2/c1-2-10-32(11-3-1)49-54-50(56-51(55-49)37-24-26-40-39-14-4-6-18-44(39)57-45(40)30-37)36-13-8-12-35(28-36)38-15-9-16-41-42-29-34(25-27-46(42)58-48(38)41)31-20-22-33(23-21-31)52-53-43-17-5-7-19-47(43)59-52/h1-30H
InChIKeyYSYFBZUKZUDJJZ-UHFFFAOYSA-N
XLogP14.75
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-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-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850202
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
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-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-[3-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 163934353
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
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-[8-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192356
2-[7-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192387
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 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) is 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole is c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc(-c7nc8ccccc8s7)cc6)cc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole?
The InChIKey is YSYFBZUKZUDJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4OS2/c1-2-10-32(11-3-1)49-54-50(56-51(55-49)37-24-26-40-39-14-4-6-18-44(39)57-45(40)30-37)36-13-8-12-35(28-36)38-15-9-16-41-42-29-34(25-27-46(42)58-48(38)41)31-20-22-33(23-21-31)52-53-43-17-5-7-19-47(43)59-52/h1-30H.
What are the key properties of 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole?
2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole has a molecular weight of 790.97 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 155356603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).