2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole

C28H18N2O — CID 5216520

IUPAC2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1nnc(C2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C28H18N2O/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)27-29-30-28(31-27)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,25-26H
InChIKeyPBPDFUDGTBQUFX-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.39
Rot. Bonds2

About 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole

2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole (PubChem CID 5216520) has the molecular formula C28H18N2O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole
PubChem CID5216520
Molecular FormulaC28H18N2O
Molecular Weight398.47 g/mol
Exact Mass398.14
IUPAC Name2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1nnc(C2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C28H18N2O/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)27-29-30-28(31-27)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,25-26H
InChIKeyPBPDFUDGTBQUFX-UHFFFAOYSA-N
XLogP6.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole (CID 5216520) is 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole is c1ccc2c(c1)-c1ccccc1C2c1nnc(C2c3ccccc3-c3ccccc32)o1.
What is the InChIKey of 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole?
The InChIKey is PBPDFUDGTBQUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)27-29-30-28(31-27)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,25-26H.
What are the key properties of 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole?
2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole has a molecular weight of 398.47 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(9H-fluoren-9-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 5216520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).