CID 59340225

C28H33NO2 — CID 59340225

IUPAC—
SMILES[CH]c1cccc(-c2cccc(-c3ccc(OCC(C)CC)c(OCC(C)CC)c3)c2)n1
InChIInChI=1S/C28H33NO2/c1-6-20(3)18-30-27-15-14-24(17-28(27)31-19-21(4)7-2)23-11-9-12-25(16-23)26-13-8-10-22(5)29-26/h5,8-17,20-21H,6-7,18-19H2,1-4H3
InChIKeyFABNBUNKDQWNGE-UHFFFAOYSA-N
MW415.58 g/mol
LogP7.32
Rot. Bonds10

About CID 59340225

CID 59340225 (PubChem CID 59340225) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol.

Molecular Properties

Compound NameCID 59340225
PubChem CID59340225
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name—
SMILES[CH]c1cccc(-c2cccc(-c3ccc(OCC(C)CC)c(OCC(C)CC)c3)c2)n1
InChIInChI=1S/C28H33NO2/c1-6-20(3)18-30-27-15-14-24(17-28(27)31-19-21(4)7-2)23-11-9-12-25(16-23)26-13-8-10-22(5)29-26/h5,8-17,20-21H,6-7,18-19H2,1-4H3
InChIKeyFABNBUNKDQWNGE-UHFFFAOYSA-N
XLogP7.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59340225?
The IUPAC name of CID 59340225 (CID 59340225) is not available.
What is the SMILES notation for CID 59340225?
The canonical SMILES for CID 59340225 is [CH]c1cccc(-c2cccc(-c3ccc(OCC(C)CC)c(OCC(C)CC)c3)c2)n1.
What is the InChIKey of CID 59340225?
The InChIKey is FABNBUNKDQWNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-6-20(3)18-30-27-15-14-24(17-28(27)31-19-21(4)7-2)23-11-9-12-25(16-23)26-13-8-10-22(5)29-26/h5,8-17,20-21H,6-7,18-19H2,1-4H3.
What are the key properties of CID 59340225?
CID 59340225 has a molecular weight of 415.58 g/mol, XLogP of 7.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59340225 is sourced from PubChem (CID 59340225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).