11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole

C55H32N4OS — CID 142569486

IUPAC11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C55H32N4OS/c1-2-13-34(14-3-1)53-56-54(38-25-27-42-41-18-6-8-22-47(41)60-48(42)32-38)58-55(57-53)59-51-39-17-5-4-12-33(39)24-28-45(51)44-21-11-20-40(52(44)59)37-16-10-15-35(30-37)36-26-29-50-46(31-36)43-19-7-9-23-49(43)61-50/h1-32H
InChIKeyWXOQFBBWTSIWQW-UHFFFAOYSA-N
MW796.96 g/mol
LogP15.06
Rot. Bonds5

About 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole (PubChem CID 142569486) has the molecular formula C55H32N4OS and a molecular weight of 796.96 g/mol. Its IUPAC name is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
PubChem CID142569486
Molecular FormulaC55H32N4OS
Molecular Weight796.96 g/mol
Exact Mass796.23
IUPAC Name11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C55H32N4OS/c1-2-13-34(14-3-1)53-56-54(38-25-27-42-41-18-6-8-22-47(41)60-48(42)32-38)58-55(57-53)59-51-39-17-5-4-12-33(39)24-28-45(51)44-21-11-20-40(52(44)59)37-16-10-15-35(30-37)36-26-29-50-46(31-36)43-19-7-9-23-49(43)61-50/h1-32H
InChIKeyWXOQFBBWTSIWQW-UHFFFAOYSA-N
XLogP15.06
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.96
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
CID 142570657
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
CID 142572075
2-[7-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192387
6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole
CID 163840544
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole
CID 142568485
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole
CID 142571652
2-[8-(2-dibenzofuran-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192055
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
21-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-19-dibenzothiophen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570169

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole?
The IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole (CID 142569486) is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cccc4c4ccc5ccccc5c43)n2)cc1.
What is the InChIKey of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole?
The InChIKey is WXOQFBBWTSIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4OS/c1-2-13-34(14-3-1)53-56-54(38-25-27-42-41-18-6-8-22-47(41)60-48(42)32-38)58-55(57-53)59-51-39-17-5-4-12-33(39)24-28-45(51)44-21-11-20-40(52(44)59)37-16-10-15-35(30-37)36-26-29-50-46(31-36)43-19-7-9-23-49(43)61-50/h1-32H.
What are the key properties of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole?
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole has a molecular weight of 796.96 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole is sourced from PubChem (CID 142569486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).