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

C45H28N4S — CID 167378774

IUPAC2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H28N4S/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)37-27-26-33(42-41(37)36-21-11-13-23-40(36)50-42)31-24-25-35-34-20-10-12-22-38(34)49(39(35)28-31)32-18-8-3-9-19-32/h1-28H
InChIKeyUPAYJCHCADUTBL-UHFFFAOYSA-N
MW656.81 g/mol
LogP12.00
Rot. Bonds5

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

2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 167378774) has the molecular formula C45H28N4S and a molecular weight of 656.81 g/mol. Its IUPAC name is 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
PubChem CID167378774
Molecular FormulaC45H28N4S
Molecular Weight656.81 g/mol
Exact Mass656.20
IUPAC Name2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H28N4S/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)37-27-26-33(42-41(37)36-21-11-13-23-40(36)50-42)31-24-25-35-34-20-10-12-22-38(34)49(39(35)28-31)32-18-8-3-9-19-32/h1-28H
InChIKeyUPAYJCHCADUTBL-UHFFFAOYSA-N
XLogP12.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole
CID 155158863
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 118508078
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
CID 155160087
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 118507640
5-[1-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039621
4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142519398
2-[4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445636
2-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768047
5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
CID 163929950
2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylphenyl)phenyl]carbazole
CID 163810171
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The IUPAC name of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (CID 167378774) is 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The InChIKey is UPAYJCHCADUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)37-27-26-33(42-41(37)36-21-11-13-23-40(36)50-42)31-24-25-35-34-20-10-12-22-38(34)49(39(35)28-31)32-18-8-3-9-19-32/h1-28H.
What are the key properties of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole has a molecular weight of 656.81 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 167378774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).