CID 11236742

C28H32Cl2NO — CID 11236742

IUPAC—
SMILESCCCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C
InChIInChI=1S/C28H32Cl2NO/c1-7-16-28(5,6)32-31-26-24(20-10-14-23(30)15-11-20)17-21(18-25(26)27(2,3)4)19-8-12-22(29)13-9-19/h8-15,17-18H,7,16H2,1-6H3
InChIKeyKBPQXCBHYUNGDJ-UHFFFAOYSA-N
MW469.48 g/mol
LogP9.37
Rot. Bonds7

About CID 11236742

CID 11236742 (PubChem CID 11236742) has the molecular formula C28H32Cl2NO and a molecular weight of 469.48 g/mol.

Molecular Properties

Compound NameCID 11236742
PubChem CID11236742
Molecular FormulaC28H32Cl2NO
Molecular Weight469.48 g/mol
Exact Mass468.19
IUPAC Name—
SMILESCCCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C
InChIInChI=1S/C28H32Cl2NO/c1-7-16-28(5,6)32-31-26-24(20-10-14-23(30)15-11-20)17-21(18-25(26)27(2,3)4)19-8-12-22(29)13-9-19/h8-15,17-18H,7,16H2,1-6H3
InChIKeyKBPQXCBHYUNGDJ-UHFFFAOYSA-N
XLogP9.37
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.48
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11236742?
The IUPAC name of CID 11236742 (CID 11236742) is not available.
What is the SMILES notation for CID 11236742?
The canonical SMILES for CID 11236742 is CCCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C.
What is the InChIKey of CID 11236742?
The InChIKey is KBPQXCBHYUNGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2NO/c1-7-16-28(5,6)32-31-26-24(20-10-14-23(30)15-11-20)17-21(18-25(26)27(2,3)4)19-8-12-22(29)13-9-19/h8-15,17-18H,7,16H2,1-6H3.
What are the key properties of CID 11236742?
CID 11236742 has a molecular weight of 469.48 g/mol, XLogP of 9.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11236742 is sourced from PubChem (CID 11236742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).