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

C45H28N4S — CID 118507992

IUPAC3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc4sc5ccccc5c34)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)42-33(25-27-40-41(42)35-21-11-13-23-39(35)50-40)31-24-26-38-36(28-31)34-20-10-12-22-37(34)49(38)32-18-8-3-9-19-32/h1-28H
InChIKeyDCQHLFARCQZDRT-UHFFFAOYSA-N
MW656.81 g/mol
LogP12.00
Rot. Bonds5

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

3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 118507992) has the molecular formula C45H28N4S and a molecular weight of 656.81 g/mol. Its IUPAC name is 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID118507992
Molecular FormulaC45H28N4S
Molecular Weight656.81 g/mol
Exact Mass656.20
IUPAC Name3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc4sc5ccccc5c34)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)42-33(25-27-40-41(42)35-21-11-13-23-39(35)50-40)31-24-26-38-36(28-31)34-20-10-12-22-37(34)49(38)32-18-8-3-9-19-32/h1-28H
InChIKeyDCQHLFARCQZDRT-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

3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 156549994
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
2,4-diphenyl-6-(2-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 147282825
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
3-[4-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-9-phenylcarbazole
CID 167237296
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
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 154938927

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole (CID 118507992) is 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is DCQHLFARCQZDRT-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)42-33(25-27-40-41(42)35-21-11-13-23-39(35)50-40)31-24-26-38-36(28-31)34-20-10-12-22-37(34)49(38)32-18-8-3-9-19-32/h1-28H.
What are the key properties of 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-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 3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 118507992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).