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

C51H30N4OS — CID 168768583

IUPAC3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4sc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(38-19-11-23-44-47(38)36-18-8-10-22-43(36)56-44)54-51(53-49)39-20-12-24-45-48(39)37-27-25-33(30-46(37)57-45)32-26-28-42-40(29-32)35-17-7-9-21-41(35)55(42)34-15-5-2-6-16-34/h1-30H
InChIKeyKHFNKOUBKYCCCC-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

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

3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole (PubChem CID 168768583) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
PubChem CID168768583
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4sc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(38-19-11-23-44-47(38)36-18-8-10-22-43(36)56-44)54-51(53-49)39-20-12-24-45-48(39)37-27-25-33(30-46(37)57-45)32-26-28-42-40(29-32)35-17-7-9-21-41(35)55(42)34-15-5-2-6-16-34/h1-30H
InChIKeyKHFNKOUBKYCCCC-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

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

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Related Compounds

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-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
3-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768306
2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767810
3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768786
3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768814
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
3-[9-[9-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768734
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768205
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

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole (CID 168768583) is 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4sc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c34)n2)cc1.
What is the InChIKey of 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole?
The InChIKey is KHFNKOUBKYCCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(38-19-11-23-44-47(38)36-18-8-10-22-43(36)56-44)54-51(53-49)39-20-12-24-45-48(39)37-27-25-33(30-46(37)57-45)32-26-28-42-40(29-32)35-17-7-9-21-41(35)55(42)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole?
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).