5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane

C59H38N4OS — CID 142570393

IUPAC5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane
SMILESCC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5cc6ccccc6cc5c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c54)n3)ccc2c1
InChIInChI=1S/C57H32N4OS.C2H6/c1-2-13-35-29-38(24-23-33(35)11-1)55-58-56(39-25-27-42-41-17-7-8-22-49(41)62-50(42)32-39)60-57(59-55)61-48-31-37-15-4-3-14-36(37)30-47(48)44-19-9-18-43(53(44)61)45-20-10-21-46-52-40-16-6-5-12-34(40)26-28-51(52)63-54(45)46;1-2/h1-32H;1-2H3
InChIKeyJQZBQGJDJVEWHZ-UHFFFAOYSA-N
MW851.05 g/mol
LogP16.72
Rot. Bonds4

About 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane

5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane (PubChem CID 142570393) has the molecular formula C59H38N4OS and a molecular weight of 851.05 g/mol. Its IUPAC name is 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane.

Molecular Properties

Compound Name5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane
PubChem CID142570393
Molecular FormulaC59H38N4OS
Molecular Weight851.05 g/mol
Exact Mass850.28
IUPAC Name5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane
SMILESCC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5cc6ccccc6cc5c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c54)n3)ccc2c1
InChIInChI=1S/C57H32N4OS.C2H6/c1-2-13-35-29-38(24-23-33(35)11-1)55-58-56(39-25-27-42-41-17-7-8-22-49(41)62-50(42)32-39)60-57(59-55)61-48-31-37-15-4-3-14-36(37)30-47(48)44-19-9-18-43(53(44)61)45-20-10-21-46-52-40-16-6-5-12-34(40)26-28-51(52)63-54(45)46;1-2/h1-32H;1-2H3
InChIKeyJQZBQGJDJVEWHZ-UHFFFAOYSA-N
XLogP16.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.05
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane with MolForge

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Related Compounds

11-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-8-ylbenzo[a]carbazole;ethane
CID 142570249
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole
CID 142570557
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
CID 142572067
21-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-19-naphtho[2,1-b][1]benzothiol-8-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;ethane
CID 142571144
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
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane
CID 142571781
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
CID 142571736
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
5-[9-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzothiol-10-yl]benzo[b]carbazole
CID 155034973
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole;propane
CID 142570766

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane?
The IUPAC name of 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane (CID 142570393) is 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane.
What is the SMILES notation for 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane?
The canonical SMILES for 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane is CC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5cc6ccccc6cc5c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c54)n3)ccc2c1.
What is the InChIKey of 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane?
The InChIKey is JQZBQGJDJVEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4OS.C2H6/c1-2-13-35-29-38(24-23-33(35)11-1)55-58-56(39-25-27-42-41-17-7-8-22-49(41)62-50(42)32-39)60-57(59-55)61-48-31-37-15-4-3-14-36(37)30-47(48)44-19-9-18-43(53(44)61)45-20-10-21-46-52-40-16-6-5-12-34(40)26-28-51(52)63-54(45)46;1-2/h1-32H;1-2H3.
What are the key properties of 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane?
5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane has a molecular weight of 851.05 g/mol, XLogP of 16.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane is sourced from PubChem (CID 142570393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).