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

C51H30N4OS — CID 164849997

IUPAC9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)40-27-26-35(48-47(40)39-19-8-11-21-44(39)56-48)33-23-28-43-41(29-33)36-17-7-10-20-42(36)55(43)34-24-25-38-37-18-9-12-22-45(37)57-46(38)30-34/h1-30H
InChIKeyVNRPBEJVFBXOEO-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

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

9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 164849997) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID164849997
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)40-27-26-35(48-47(40)39-19-8-11-21-44(39)56-48)33-23-28-43-41(29-33)36-17-7-10-20-42(36)55(43)34-24-25-38-37-18-9-12-22-45(37)57-46(38)30-34/h1-30H
InChIKeyVNRPBEJVFBXOEO-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-[1-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 118507596
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 169010831
2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
CID 155159974
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 118507599
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011026
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-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768306
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768583
3-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole;4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 167558053
2-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 169011618
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011470

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (CID 164849997) is 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is VNRPBEJVFBXOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)40-27-26-35(48-47(40)39-19-8-11-21-44(39)56-48)33-23-28-43-41(29-33)36-17-7-10-20-42(36)55(43)34-24-25-38-37-18-9-12-22-45(37)57-46(38)30-34/h1-30H.
What are the key properties of 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole 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 9-dibenzothiophen-3-yl-3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 164849997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).