2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C29H22N2O — CID 166008017

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc21
InChIInChI=1S/C29H22N2O/c1-29(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)29)19-12-14-21(15-13-19)28-31-30-27(32-28)20-8-4-3-5-9-20/h3-18H,1-2H3
InChIKeyQWRRKZBRCFOUQB-UHFFFAOYSA-N
MW414.51 g/mol
LogP7.38
Rot. Bonds3

About 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 166008017) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID166008017
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc21
InChIInChI=1S/C29H22N2O/c1-29(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)29)19-12-14-21(15-13-19)28-31-30-27(32-28)20-8-4-3-5-9-20/h3-18H,1-2H3
InChIKeyQWRRKZBRCFOUQB-UHFFFAOYSA-N
XLogP7.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 158223952
2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole
CID 89492500
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 166008017) is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is QWRRKZBRCFOUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c1-29(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)29)19-12-14-21(15-13-19)28-31-30-27(32-28)20-8-4-3-5-9-20/h3-18H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 414.51 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 166008017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).