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

C46H27N5S2 — CID 147296316

IUPAC2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3cccc4sc5cccc(-c6ccc(-c7nc8ccccc8s7)cc6)c5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C46H27N5S2/c1-2-12-29(13-3-1)43-48-44(50-46(49-43)51-36-19-7-4-14-32(36)33-15-5-8-20-37(33)51)34-17-11-23-40-42(34)41-31(16-10-22-39(41)52-40)28-24-26-30(27-25-28)45-47-35-18-6-9-21-38(35)53-45/h1-27H
InChIKeyCVEQFGIRACKKQG-UHFFFAOYSA-N
MW713.89 g/mol
LogP12.61
Rot. Bonds5

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

2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole (PubChem CID 147296316) has the molecular formula C46H27N5S2 and a molecular weight of 713.89 g/mol. Its IUPAC name is 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
PubChem CID147296316
Molecular FormulaC46H27N5S2
Molecular Weight713.89 g/mol
Exact Mass713.17
IUPAC Name2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3cccc4sc5cccc(-c6ccc(-c7nc8ccccc8s7)cc6)c5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C46H27N5S2/c1-2-12-29(13-3-1)43-48-44(50-46(49-43)51-36-19-7-4-14-32(36)33-15-5-8-20-37(33)51)34-17-11-23-40-42(34)41-31(16-10-22-39(41)52-40)28-24-26-30(27-25-28)45-47-35-18-6-9-21-38(35)53-45/h1-27H
InChIKeyCVEQFGIRACKKQG-UHFFFAOYSA-N
XLogP12.61
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.89
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-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-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 158542008
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
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
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277
9-[4-[3-(9-dibenzothiophen-1-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358003
2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-1,3-benzothiazole
CID 147693086
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756581
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148624256
2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513232
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
6-[9-[9-[4-phenyl-6-(2-phenyl-1,3-benzothiazol-5-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazol-3-yl]benzene-1,2,3,4,5-pentol
CID 174170576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole (CID 147296316) is 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole is c1ccc(-c2nc(-c3cccc4sc5cccc(-c6ccc(-c7nc8ccccc8s7)cc6)c5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole?
The InChIKey is CVEQFGIRACKKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5S2/c1-2-12-29(13-3-1)43-48-44(50-46(49-43)51-36-19-7-4-14-32(36)33-15-5-8-20-37(33)51)34-17-11-23-40-42(34)41-31(16-10-22-39(41)52-40)28-24-26-30(27-25-28)45-47-35-18-6-9-21-38(35)53-45/h1-27H.
What are the key properties of 2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole?
2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole has a molecular weight of 713.89 g/mol, XLogP of 12.61, 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-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 147296316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).