(3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione

C25H18Cl3NO2 — CID 24994220

IUPAC(3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESO=C1C[C@H](c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C25H18Cl3NO2/c26-16-5-1-3-14(9-16)21-12-19(30)13-22(15-4-2-6-17(27)10-15)25(21)20-8-7-18(28)11-23(20)29-24(25)31/h1-11,21-22H,12-13H2,(H,29,31)/t21-,22+,25?
InChIKeyZPMGPEYHEIEXSJ-OFFJZUQKSA-N
MW470.78 g/mol
LogP6.77
Rot. Bonds2

About (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione

(3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione (PubChem CID 24994220) has the molecular formula C25H18Cl3NO2 and a molecular weight of 470.78 g/mol. Its IUPAC name is (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Name(3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
PubChem CID24994220
Molecular FormulaC25H18Cl3NO2
Molecular Weight470.78 g/mol
Exact Mass469.04
IUPAC Name(3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESO=C1C[C@H](c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C25H18Cl3NO2/c26-16-5-1-3-14(9-16)21-12-19(30)13-22(15-4-2-6-17(27)10-15)25(21)20-8-7-18(28)11-23(20)29-24(25)31/h1-11,21-22H,12-13H2,(H,29,31)/t21-,22+,25?
InChIKeyZPMGPEYHEIEXSJ-OFFJZUQKSA-N
XLogP6.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.78
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione (CID 24994220) is (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione is O=C1C[C@H](c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1.
What is the InChIKey of (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The InChIKey is ZPMGPEYHEIEXSJ-OFFJZUQKSA-N. The full InChI is InChI=1S/C25H18Cl3NO2/c26-16-5-1-3-14(9-16)21-12-19(30)13-22(15-4-2-6-17(27)10-15)25(21)20-8-7-18(28)11-23(20)29-24(25)31/h1-11,21-22H,12-13H2,(H,29,31)/t21-,22+,25?.
What are the key properties of (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
(3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione has a molecular weight of 470.78 g/mol, XLogP of 6.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3'S,5'R)-6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 24994220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).