1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione

C26H21Cl2NO2 — CID 141220681

IUPAC1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione
SMILESCc1cccc(C2CC(=O)CC(c3cccc(Cl)c3)C23C(=O)N(Cl)c2ccccc23)c1
InChIInChI=1S/C26H21Cl2NO2/c1-16-6-4-7-17(12-16)22-14-20(30)15-23(18-8-5-9-19(27)13-18)26(22)21-10-2-3-11-24(21)29(28)25(26)31/h2-13,22-23H,14-15H2,1H3
InChIKeyVDBQLJNRZCFLNA-UHFFFAOYSA-N
MW450.37 g/mol
LogP6.32
Rot. Bonds2

About 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione

1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione (PubChem CID 141220681) has the molecular formula C26H21Cl2NO2 and a molecular weight of 450.37 g/mol. Its IUPAC name is 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione.

Molecular Properties

Compound Name1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione
PubChem CID141220681
Molecular FormulaC26H21Cl2NO2
Molecular Weight450.37 g/mol
Exact Mass449.09
IUPAC Name1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione
SMILESCc1cccc(C2CC(=O)CC(c3cccc(Cl)c3)C23C(=O)N(Cl)c2ccccc23)c1
InChIInChI=1S/C26H21Cl2NO2/c1-16-6-4-7-17(12-16)22-14-20(30)15-23(18-8-5-9-19(27)13-18)26(22)21-10-2-3-11-24(21)29(28)25(26)31/h2-13,22-23H,14-15H2,1H3
InChIKeyVDBQLJNRZCFLNA-UHFFFAOYSA-N
XLogP6.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione?
The IUPAC name of 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione (CID 141220681) is 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione.
What is the SMILES notation for 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione?
The canonical SMILES for 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione is Cc1cccc(C2CC(=O)CC(c3cccc(Cl)c3)C23C(=O)N(Cl)c2ccccc23)c1.
What is the InChIKey of 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione?
The InChIKey is VDBQLJNRZCFLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2NO2/c1-16-6-4-7-17(12-16)22-14-20(30)15-23(18-8-5-9-19(27)13-18)26(22)21-10-2-3-11-24(21)29(28)25(26)31/h2-13,22-23H,14-15H2,1H3.
What are the key properties of 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione?
1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione has a molecular weight of 450.37 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione is sourced from PubChem (CID 141220681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).