CID 11193816

C52H54Cl4N2O2 — CID 11193816

IUPAC—
SMILESCC(C)(CCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C
InChIInChI=1S/C52H54Cl4N2O2/c1-49(2,3)45-31-37(33-11-19-39(53)20-12-33)29-43(35-15-23-41(55)24-16-35)47(45)57-59-51(7,8)27-28-52(9,10)60-58-48-44(36-17-25-42(56)26-18-36)30-38(32-46(48)50(4,5)6)34-13-21-40(54)22-14-34/h11-26,29-32H,27-28H2,1-10H3
InChIKeyGPCSPYNHFYKPPJ-UHFFFAOYSA-N
MW880.83 g/mol
LogP16.94
Rot. Bonds13

About CID 11193816

CID 11193816 (PubChem CID 11193816) has the molecular formula C52H54Cl4N2O2 and a molecular weight of 880.83 g/mol.

Molecular Properties

Compound NameCID 11193816
PubChem CID11193816
Molecular FormulaC52H54Cl4N2O2
Molecular Weight880.83 g/mol
Exact Mass878.29
IUPAC Name—
SMILESCC(C)(CCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C
InChIInChI=1S/C52H54Cl4N2O2/c1-49(2,3)45-31-37(33-11-19-39(53)20-12-33)29-43(35-15-23-41(55)24-16-35)47(45)57-59-51(7,8)27-28-52(9,10)60-58-48-44(36-17-25-42(56)26-18-36)30-38(32-46(48)50(4,5)6)34-13-21-40(54)22-14-34/h11-26,29-32H,27-28H2,1-10H3
InChIKeyGPCSPYNHFYKPPJ-UHFFFAOYSA-N
XLogP16.94
TPSA46.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.83
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 11193816 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11193816?
The IUPAC name of CID 11193816 (CID 11193816) is not available.
What is the SMILES notation for CID 11193816?
The canonical SMILES for CID 11193816 is CC(C)(CCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1C(C)(C)C.
What is the InChIKey of CID 11193816?
The InChIKey is GPCSPYNHFYKPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54Cl4N2O2/c1-49(2,3)45-31-37(33-11-19-39(53)20-12-33)29-43(35-15-23-41(55)24-16-35)47(45)57-59-51(7,8)27-28-52(9,10)60-58-48-44(36-17-25-42(56)26-18-36)30-38(32-46(48)50(4,5)6)34-13-21-40(54)22-14-34/h11-26,29-32H,27-28H2,1-10H3.
What are the key properties of CID 11193816?
CID 11193816 has a molecular weight of 880.83 g/mol, XLogP of 16.94, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11193816 is sourced from PubChem (CID 11193816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).