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

C36H21F2N5O — CID 134271804

IUPAC2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nnc(-c4ccccc4)o3)ccc21
InChIInChI=1S/C36H21F2N5O/c37-36(38)29-18-16-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)20-27(29)28-21-26(17-19-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h1-21H
InChIKeyHVEHKHNVSVFNLH-UHFFFAOYSA-N
MW577.59 g/mol
LogP8.71
Rot. Bonds5

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

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 134271804) has the molecular formula C36H21F2N5O and a molecular weight of 577.59 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID134271804
Molecular FormulaC36H21F2N5O
Molecular Weight577.59 g/mol
Exact Mass577.17
IUPAC Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESFC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nnc(-c4ccccc4)o3)ccc21
InChIInChI=1S/C36H21F2N5O/c37-36(38)29-18-16-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)20-27(29)28-21-26(17-19-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h1-21H
InChIKeyHVEHKHNVSVFNLH-UHFFFAOYSA-N
XLogP8.71
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.59
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-dibenzothiophen-2-ylphenyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-(6-diphenylphosphoryl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole;2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-thiadiazole
CID 157061416
2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271790
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 153297911
2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine
CID 134271802
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
CID 134271912
2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine
CID 134271771
2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271879
2-[7-[4-(1-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 163472098
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-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole (CID 134271804) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole is FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nnc(-c4ccccc4)o3)ccc21.
What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HVEHKHNVSVFNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F2N5O/c37-36(38)29-18-16-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)20-27(29)28-21-26(17-19-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h1-21H.
What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 577.59 g/mol, XLogP of 8.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 134271804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).