2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole

C23H24N2O — CID 54270929

IUPAC2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole
SMILESCC(C)(C)C1=CC=CCC12CC(c1ccccc1)=CC=C2c1nnco1
InChIInChI=1S/C23H24N2O/c1-22(2,3)20-11-7-8-14-23(20)15-18(17-9-5-4-6-10-17)12-13-19(23)21-25-24-16-26-21/h4-13,16H,14-15H2,1-3H3
InChIKeyRKBHEKCEQIBNKX-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.86
Rot. Bonds2

About 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole

2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole (PubChem CID 54270929) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole
PubChem CID54270929
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole
SMILESCC(C)(C)C1=CC=CCC12CC(c1ccccc1)=CC=C2c1nnco1
InChIInChI=1S/C23H24N2O/c1-22(2,3)20-11-7-8-14-23(20)15-18(17-9-5-4-6-10-17)12-13-19(23)21-25-24-16-26-21/h4-13,16H,14-15H2,1-3H3
InChIKeyRKBHEKCEQIBNKX-UHFFFAOYSA-N
XLogP5.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole (CID 54270929) is 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole is CC(C)(C)C1=CC=CCC12CC(c1ccccc1)=CC=C2c1nnco1.
What is the InChIKey of 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole?
The InChIKey is RKBHEKCEQIBNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-22(2,3)20-11-7-8-14-23(20)15-18(17-9-5-4-6-10-17)12-13-19(23)21-25-24-16-26-21/h4-13,16H,14-15H2,1-3H3.
What are the key properties of 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole?
2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole has a molecular weight of 344.46 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-tert-butyl-2-phenylspiro[5.5]undeca-2,4,8,10-tetraen-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 54270929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).