12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole

C52H30F3N5O — CID 155159490

IUPAC12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C52H30F3N5O/c53-52(54,55)40-30-39(51-57-49(31-16-4-1-5-17-31)56-50(58-51)32-18-6-2-7-19-32)44-38-24-12-15-27-43(38)61-48(44)47(40)60-42-26-14-11-23-35(42)37-29-28-36-34-22-10-13-25-41(34)59(45(36)46(37)60)33-20-8-3-9-21-33/h1-30H
InChIKeyBEXTYIKQSCTPER-UHFFFAOYSA-N
MW797.84 g/mol
LogP13.98
Rot. Bonds5

About 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole

12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 155159490) has the molecular formula C52H30F3N5O and a molecular weight of 797.84 g/mol. Its IUPAC name is 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID155159490
Molecular FormulaC52H30F3N5O
Molecular Weight797.84 g/mol
Exact Mass797.24
IUPAC Name12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C52H30F3N5O/c53-52(54,55)40-30-39(51-57-49(31-16-4-1-5-17-31)56-50(58-51)32-18-6-2-7-19-32)44-38-24-12-15-27-43(38)61-48(44)47(40)60-42-26-14-11-23-35(42)37-29-28-36-34-22-10-13-25-41(34)59(45(36)46(37)60)33-20-8-3-9-21-33/h1-30H
InChIKeyBEXTYIKQSCTPER-UHFFFAOYSA-N
XLogP13.98
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.84
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole (CID 155159490) is 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is BEXTYIKQSCTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30F3N5O/c53-52(54,55)40-30-39(51-57-49(31-16-4-1-5-17-31)56-50(58-51)32-18-6-2-7-19-32)44-38-24-12-15-27-43(38)61-48(44)47(40)60-42-26-14-11-23-35(42)37-29-28-36-34-22-10-13-25-41(34)59(45(36)46(37)60)33-20-8-3-9-21-33/h1-30H.
What are the key properties of 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole?
12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 797.84 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 155159490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).