3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole

C51H30N4OS — CID 158680520

IUPAC3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4sc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)49-52-50(54-51(53-49)34-22-25-39-38-17-8-10-20-44(38)56-45(39)30-34)33-24-27-46-41(29-33)48-36(18-11-21-47(48)57-46)32-23-26-43-40(28-32)37-16-7-9-19-42(37)55(43)35-14-5-2-6-15-35/h1-30H
InChIKeyIFBJBWZOXYITSM-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

About 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole

3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole (PubChem CID 158680520) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
PubChem CID158680520
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4sc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)49-52-50(54-51(53-49)34-22-25-39-38-17-8-10-20-44(38)56-45(39)30-34)33-24-27-46-41(29-33)48-36(18-11-21-47(48)57-46)32-23-26-43-40(28-32)37-16-7-9-19-42(37)55(43)35-14-5-2-6-15-35/h1-30H
InChIKeyIFBJBWZOXYITSM-UHFFFAOYSA-N
XLogP13.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.90
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768603
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;3-dibenzofuran-1-yl-9-phenylcarbazole;2-dibenzothiophen-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine
CID 163752902
3-[8-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768597
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010716
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 159076977
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158954926
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
CID 142568311
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011068

Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole (CID 158680520) is 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4sc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)n2)cc1.
What is the InChIKey of 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole?
The InChIKey is IFBJBWZOXYITSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)49-52-50(54-51(53-49)34-22-25-39-38-17-8-10-20-44(38)56-45(39)30-34)33-24-27-46-41(29-33)48-36(18-11-21-47(48)57-46)32-23-26-43-40(28-32)37-16-7-9-19-42(37)55(43)35-14-5-2-6-15-35/h1-30H.
What are the key properties of 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole?
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole has a molecular weight of 746.90 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 158680520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).