3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine

C28H34N4OSi — CID 69369951

IUPAC3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine
SMILESCN(c1cccc(N)c1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C28H34N4OSi/c1-31(24-12-8-11-23(29)19-24)25-14-15-26-27(16-13-22-9-6-5-7-10-22)30-32(28(26)20-25)21-33-17-18-34(2,3)4/h5-16,19-20H,17-18,21,29H2,1-4H3
InChIKeyYVLPDNVLSWDYOY-UHFFFAOYSA-N
MW470.69 g/mol
LogP6.87
Rot. Bonds9

About 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine

3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine (PubChem CID 69369951) has the molecular formula C28H34N4OSi and a molecular weight of 470.69 g/mol. Its IUPAC name is 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine
PubChem CID69369951
Molecular FormulaC28H34N4OSi
Molecular Weight470.69 g/mol
Exact Mass470.25
IUPAC Name3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine
SMILESCN(c1cccc(N)c1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C28H34N4OSi/c1-31(24-12-8-11-23(29)19-24)25-14-15-26-27(16-13-22-9-6-5-7-10-22)30-32(28(26)20-25)21-33-17-18-34(2,3)4/h5-16,19-20H,17-18,21,29H2,1-4H3
InChIKeyYVLPDNVLSWDYOY-UHFFFAOYSA-N
XLogP6.87
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine (CID 69369951) is 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine is CN(c1cccc(N)c1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine?
The InChIKey is YVLPDNVLSWDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4OSi/c1-31(24-12-8-11-23(29)19-24)25-14-15-26-27(16-13-22-9-6-5-7-10-22)30-32(28(26)20-25)21-33-17-18-34(2,3)4/h5-16,19-20H,17-18,21,29H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine?
3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine has a molecular weight of 470.69 g/mol, XLogP of 6.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine is sourced from PubChem (CID 69369951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).