2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole

C46H26N4S3 — CID 149288675

IUPAC2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc(-c7nc8ccccc8s7)cc6)cc5c34)n2)cc1
InChIInChI=1S/C46H26N4S3/c1-2-10-28(11-3-1)43-48-44(50-45(49-43)34-15-8-13-32-31-12-4-6-17-37(31)52-42(32)34)33-14-9-19-40-41(33)35-26-30(24-25-38(35)51-40)27-20-22-29(23-21-27)46-47-36-16-5-7-18-39(36)53-46/h1-26H
InChIKeyXUKFNHCMPLYEJQ-UHFFFAOYSA-N
MW730.94 g/mol
LogP13.55
Rot. Bonds5

About 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole

2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole (PubChem CID 149288675) has the molecular formula C46H26N4S3 and a molecular weight of 730.94 g/mol. Its IUPAC name is 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
PubChem CID149288675
Molecular FormulaC46H26N4S3
Molecular Weight730.94 g/mol
Exact Mass730.13
IUPAC Name2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc(-c7nc8ccccc8s7)cc6)cc5c34)n2)cc1
InChIInChI=1S/C46H26N4S3/c1-2-10-28(11-3-1)43-48-44(50-45(49-43)34-15-8-13-32-31-12-4-6-17-37(31)52-42(32)34)33-14-9-19-40-41(33)35-26-30(24-25-38(35)51-40)27-20-22-29(23-21-27)46-47-36-16-5-7-18-39(36)53-46/h1-26H
InChIKeyXUKFNHCMPLYEJQ-UHFFFAOYSA-N
XLogP13.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.94
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)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-[3-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 163934353
2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-1,3-benzothiazole
CID 147693086
2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole
CID 159333443
2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199444
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-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 134199250
2-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 171411417
2-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513241
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole;2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1,3-benzothiazole
CID 161196244
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148966592

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole (CID 149288675) is 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole is c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc(-c7nc8ccccc8s7)cc6)cc5c34)n2)cc1.
What is the InChIKey of 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole?
The InChIKey is XUKFNHCMPLYEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4S3/c1-2-10-28(11-3-1)43-48-44(50-45(49-43)34-15-8-13-32-31-12-4-6-17-37(31)52-42(32)34)33-14-9-19-40-41(33)35-26-30(24-25-38(35)51-40)27-20-22-29(23-21-27)46-47-36-16-5-7-18-39(36)53-46/h1-26H.
What are the key properties of 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole?
2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole has a molecular weight of 730.94 g/mol, XLogP of 13.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 149288675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).