5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline

C36H21F2N5 — CID 134271900

IUPAC5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline
SMILESFC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3cccc4nccnc34)cc21
InChIInChI=1S/C36H21F2N5/c37-36(38)29-20-24(26-12-7-13-31-32(26)40-19-18-39-31)14-16-27(29)28-17-15-25(21-30(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
InChIKeyMYLXBJRCYMTJIX-UHFFFAOYSA-N
MW561.60 g/mol
LogP8.60
Rot. Bonds4

About 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline (PubChem CID 134271900) has the molecular formula C36H21F2N5 and a molecular weight of 561.60 g/mol. Its IUPAC name is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline.

Molecular Properties

Compound Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline
PubChem CID134271900
Molecular FormulaC36H21F2N5
Molecular Weight561.60 g/mol
Exact Mass561.18
IUPAC Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline
SMILESFC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3cccc4nccnc34)cc21
InChIInChI=1S/C36H21F2N5/c37-36(38)29-20-24(26-12-7-13-31-32(26)40-19-18-39-31)14-16-27(29)28-17-15-25(21-30(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
InChIKeyMYLXBJRCYMTJIX-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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Related Compounds

2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271879
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271878
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
4-[9,9-difluoro-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134271868
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
CID 134271912
5-[4-[4-[3-phenanthren-9-yl-5-(3-pyrimidin-2-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoxaline
CID 122416073
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline?
The IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline (CID 134271900) is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline.
What is the SMILES notation for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline?
The canonical SMILES for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline is FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3cccc4nccnc34)cc21.
What is the InChIKey of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline?
The InChIKey is MYLXBJRCYMTJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F2N5/c37-36(38)29-20-24(26-12-7-13-31-32(26)40-19-18-39-31)14-16-27(29)28-17-15-25(21-30(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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline?
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline is sourced from PubChem (CID 134271900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).