3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione

C27H29N3O3Si — CID 25215540

IUPAC3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2cn(COCC[Si](C)(C)C)c3ccccc23)C1=O
InChIInChI=1S/C27H29N3O3Si/c1-29-26(31)24(20-15-28-22-11-7-5-9-18(20)22)25(27(29)32)21-16-30(17-33-13-14-34(2,3)4)23-12-8-6-10-19(21)23/h5-12,15-16,28H,13-14,17H2,1-4H3
InChIKeyZKRFEULLWKDFHP-UHFFFAOYSA-N
MW471.63 g/mol
LogP5.34
Rot. Bonds7

About 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione

3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 25215540) has the molecular formula C27H29N3O3Si and a molecular weight of 471.63 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID25215540
Molecular FormulaC27H29N3O3Si
Molecular Weight471.63 g/mol
Exact Mass471.20
IUPAC Name3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2cn(COCC[Si](C)(C)C)c3ccccc23)C1=O
InChIInChI=1S/C27H29N3O3Si/c1-29-26(31)24(20-15-28-22-11-7-5-9-18(20)22)25(27(29)32)21-16-30(17-33-13-14-34(2,3)4)23-12-8-6-10-19(21)23/h5-12,15-16,28H,13-14,17H2,1-4H3
InChIKeyZKRFEULLWKDFHP-UHFFFAOYSA-N
XLogP5.34
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
CID 148910370
2-[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl acetate
CID 102019849
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
CID 10690680
methyl (2S)-2-[[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]acetyl]amino]-3-methylbutanoate
CID 46933956
3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
CID 14855714
tert-butyl 3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indole-1-carboxylate
CID 11166603
4-(1-butylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione
CID 59616555
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
3,4-bis[1-(2-chloroethyl)indol-3-yl]-1-methylpyrrole-2,5-dione
CID 23529129
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410004

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione (CID 25215540) is 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione is CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2cn(COCC[Si](C)(C)C)c3ccccc23)C1=O.
What is the InChIKey of 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is ZKRFEULLWKDFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3Si/c1-29-26(31)24(20-15-28-22-11-7-5-9-18(20)22)25(27(29)32)21-16-30(17-33-13-14-34(2,3)4)23-12-8-6-10-19(21)23/h5-12,15-16,28H,13-14,17H2,1-4H3.
What are the key properties of 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 471.63 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 25215540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).