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

C36H21F2N5S — CID 134271912

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
SMILESFC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nnc(-c4ccccc4)s3)cc21
InChIInChI=1S/C36H21F2N5S/c37-36(38)29-20-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)16-18-27(29)28-19-17-26(21-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h1-21H
InChIKeyGWGNKXVEURBVIP-UHFFFAOYSA-N
MW593.66 g/mol
LogP9.18
Rot. Bonds5

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

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole (PubChem CID 134271912) has the molecular formula C36H21F2N5S and a molecular weight of 593.66 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
PubChem CID134271912
Molecular FormulaC36H21F2N5S
Molecular Weight593.66 g/mol
Exact Mass593.15
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
SMILESFC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nnc(-c4ccccc4)s3)cc21
InChIInChI=1S/C36H21F2N5S/c37-36(38)29-20-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)16-18-27(29)28-19-17-26(21-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h1-21H
InChIKeyGWGNKXVEURBVIP-UHFFFAOYSA-N
XLogP9.18
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.66
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
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-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271878
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline
CID 134271900
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine
CID 134271846
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-dinaphthalen-2-ylpyrimidine;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-dinaphthalen-2-ylpyrimidine;2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157165175
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 134271804

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole (CID 134271912) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole is FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nnc(-c4ccccc4)s3)cc21.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole?
The InChIKey is GWGNKXVEURBVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F2N5S/c37-36(38)29-20-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)16-18-27(29)28-19-17-26(21-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h1-21H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole has a molecular weight of 593.66 g/mol, XLogP of 9.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 134271912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).