2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione

C25H33N3O3Si — CID 6538848

IUPAC2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1cc2c(c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C25H33N3O3Si/c1-17-15-19-22(25(30)27(24(19)29)12-11-26(2)3)21-18-9-7-8-10-20(18)28(23(17)21)16-31-13-14-32(4,5)6/h7-10,15H,11-14,16H2,1-6H3
InChIKeyMAJHDXHPKWRWEB-UHFFFAOYSA-N
MW451.64 g/mol
LogP4.57
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione

2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 6538848) has the molecular formula C25H33N3O3Si and a molecular weight of 451.64 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID6538848
Molecular FormulaC25H33N3O3Si
Molecular Weight451.64 g/mol
Exact Mass451.23
IUPAC Name2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1cc2c(c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C25H33N3O3Si/c1-17-15-19-22(25(30)27(24(19)29)12-11-26(2)3)21-18-9-7-8-10-20(18)28(23(17)21)16-31-13-14-32(4,5)6/h7-10,15H,11-14,16H2,1-6H3
InChIKeyMAJHDXHPKWRWEB-UHFFFAOYSA-N
XLogP4.57
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione (CID 6538848) is 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione is Cc1cc2c(c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is MAJHDXHPKWRWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3Si/c1-17-15-19-22(25(30)27(24(19)29)12-11-26(2)3)21-18-9-7-8-10-20(18)28(23(17)21)16-31-13-14-32(4,5)6/h7-10,15H,11-14,16H2,1-6H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 451.64 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 6538848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).