5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

C37H22N4S — CID 166916961

IUPAC5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C37H22N4S/c1-2-11-23(12-3-1)35-38-36(28-17-10-20-33-34(28)27-16-7-9-19-32(27)42-33)40-37(39-35)41-30-18-8-6-15-26(30)29-21-24-13-4-5-14-25(24)22-31(29)41/h1-22H
InChIKeyVQFFDZLGXASZRY-UHFFFAOYSA-N
MW554.68 g/mol
LogP9.82
Rot. Bonds3

About 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (PubChem CID 166916961) has the molecular formula C37H22N4S and a molecular weight of 554.68 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
PubChem CID166916961
Molecular FormulaC37H22N4S
Molecular Weight554.68 g/mol
Exact Mass554.16
IUPAC Name5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C37H22N4S/c1-2-11-23(12-3-1)35-38-36(28-17-10-20-33-34(28)27-16-7-9-19-32(27)42-33)40-37(39-35)41-30-18-8-6-15-26(30)29-21-24-13-4-5-14-25(24)22-31(29)41/h1-22H
InChIKeyVQFFDZLGXASZRY-UHFFFAOYSA-N
XLogP9.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.68
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
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
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
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 170412427
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
5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
CID 162703781
5-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163473582
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
5-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158332810

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (CID 166916961) is 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4cc5ccccc5cc43)n2)cc1.
What is the InChIKey of 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The InChIKey is VQFFDZLGXASZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4S/c1-2-11-23(12-3-1)35-38-36(28-17-10-20-33-34(28)27-16-7-9-19-32(27)42-33)40-37(39-35)41-30-18-8-6-15-26(30)29-21-24-13-4-5-14-25(24)22-31(29)41/h1-22H.
What are the key properties of 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole has a molecular weight of 554.68 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 166916961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).