5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline

C36H21F2N5 — CID 134271797

IUPAC5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4nccnc34)ccc21
InChIInChI=1S/C36H21F2N5/c37-36(38)29-16-14-24(26-12-7-13-31-32(26)40-19-18-39-31)20-27(29)28-21-25(15-17-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23/h1-21H
InChIKeyRENHZPLONLEXSJ-UHFFFAOYSA-N
MW561.60 g/mol
LogP8.60
Rot. Bonds4

About 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline (PubChem CID 134271797) has the molecular formula C36H21F2N5 and a molecular weight of 561.60 g/mol. Its IUPAC name is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline.

Molecular Properties

Compound Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline
PubChem CID134271797
Molecular FormulaC36H21F2N5
Molecular Weight561.60 g/mol
Exact Mass561.18
IUPAC Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4nccnc34)ccc21
InChIInChI=1S/C36H21F2N5/c37-36(38)29-16-14-24(26-12-7-13-31-32(26)40-19-18-39-31)20-27(29)28-21-25(15-17-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23/h1-21H
InChIKeyRENHZPLONLEXSJ-UHFFFAOYSA-N
XLogP8.60
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.60
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline?
The IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline (CID 134271797) is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline.
What is the SMILES notation for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline?
The canonical SMILES for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline is FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4nccnc34)ccc21.
What is the InChIKey of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline?
The InChIKey is RENHZPLONLEXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F2N5/c37-36(38)29-16-14-24(26-12-7-13-31-32(26)40-19-18-39-31)20-27(29)28-21-25(15-17-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23/h1-21H.
What are the key properties of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline?
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline has a molecular weight of 561.60 g/mol, XLogP of 8.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline is sourced from PubChem (CID 134271797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).