CID 11071071

C28H23Cl3NO — CID 11071071

IUPAC—
SMILESCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl3NO/c1-28(2,3)33-32-27-25(19-6-12-23(30)13-7-19)16-21(18-4-10-22(29)11-5-18)17-26(27)20-8-14-24(31)15-9-20/h4-17H,1-3H3
InChIKeyAVPZQWWUTSJRSR-UHFFFAOYSA-N
MW495.86 g/mol
LogP9.61
Rot. Bonds5

About CID 11071071

CID 11071071 (PubChem CID 11071071) has the molecular formula C28H23Cl3NO and a molecular weight of 495.86 g/mol.

Molecular Properties

Compound NameCID 11071071
PubChem CID11071071
Molecular FormulaC28H23Cl3NO
Molecular Weight495.86 g/mol
Exact Mass494.08
IUPAC Name—
SMILESCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl3NO/c1-28(2,3)33-32-27-25(19-6-12-23(30)13-7-19)16-21(18-4-10-22(29)11-5-18)17-26(27)20-8-14-24(31)15-9-20/h4-17H,1-3H3
InChIKeyAVPZQWWUTSJRSR-UHFFFAOYSA-N
XLogP9.61
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.86
LogP ≤ 59.61
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 11071071?
The IUPAC name of CID 11071071 (CID 11071071) is not available.
What is the SMILES notation for CID 11071071?
The canonical SMILES for CID 11071071 is CC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of CID 11071071?
The InChIKey is AVPZQWWUTSJRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl3NO/c1-28(2,3)33-32-27-25(19-6-12-23(30)13-7-19)16-21(18-4-10-22(29)11-5-18)17-26(27)20-8-14-24(31)15-9-20/h4-17H,1-3H3.
What are the key properties of CID 11071071?
CID 11071071 has a molecular weight of 495.86 g/mol, XLogP of 9.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11071071 is sourced from PubChem (CID 11071071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).