6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C29H26Cl2N2O3Si — CID 76568074

IUPAC6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESC[Si](C)(C)C#Cc1ccc(O)c(C2NC(=O)CC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1
InChIInChI=1S/C29H26Cl2N2O3Si/c1-37(2,3)12-11-17-7-10-25(34)21(13-17)27-29(22-9-8-20(31)15-24(22)32-28(29)36)23(16-26(35)33-27)18-5-4-6-19(30)14-18/h4-10,13-15,23,27,34H,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyGAJIJWITVGCHMI-UHFFFAOYSA-N
MW549.53 g/mol
LogP6.16
Rot. Bonds2

About 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 76568074) has the molecular formula C29H26Cl2N2O3Si and a molecular weight of 549.53 g/mol. Its IUPAC name is 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID76568074
Molecular FormulaC29H26Cl2N2O3Si
Molecular Weight549.53 g/mol
Exact Mass548.11
IUPAC Name6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESC[Si](C)(C)C#Cc1ccc(O)c(C2NC(=O)CC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1
InChIInChI=1S/C29H26Cl2N2O3Si/c1-37(2,3)12-11-17-7-10-25(34)21(13-17)27-29(22-9-8-20(31)15-24(22)32-28(29)36)23(16-26(35)33-27)18-5-4-6-19(30)14-18/h4-10,13-15,23,27,34H,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyGAJIJWITVGCHMI-UHFFFAOYSA-N
XLogP6.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.53
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2,4-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68961944
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
(3R,4'S,6'S)-6'-(5-bromo-2-iodophenyl)-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70999482
6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 74931510
6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane
CID 86622028
6'-[5-bromo-2-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 76568180
6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 74931482
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 173488512
6-chloro-4'-(3-chlorophenyl)-6'-methoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68903435
(3R,6'R,8'S)-6-chloro-8'-(3-chlorophenyl)-6'-(2-hydroxy-5-iodophenyl)-2'-methylspiro[1H-indole-3,7'-4,6,8,9-tetrahydropyrido[2,1-c][1,2,4]triazine]-2,3'-dione
CID 69276479

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 76568074) is 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione is C[Si](C)(C)C#Cc1ccc(O)c(C2NC(=O)CC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1.
What is the InChIKey of 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is GAJIJWITVGCHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N2O3Si/c1-37(2,3)12-11-17-7-10-25(34)21(13-17)27-29(22-9-8-20(31)15-24(22)32-28(29)36)23(16-26(35)33-27)18-5-4-6-19(30)14-18/h4-10,13-15,23,27,34H,16H2,1-3H3,(H,32,36)(H,33,35).
What are the key properties of 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 549.53 g/mol, XLogP of 6.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4'-(3-chlorophenyl)-6'-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 76568074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).