N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine

C28H33N3OSi — CID 69370392

IUPACN-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
SMILESCN(c1ccccc1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C28H33N3OSi/c1-30(24-13-9-6-10-14-24)25-16-17-26-27(18-15-23-11-7-5-8-12-23)29-31(28(26)21-25)22-32-19-20-33(2,3)4/h5-18,21H,19-20,22H2,1-4H3
InChIKeyYAZATMBNKSTRGJ-UHFFFAOYSA-N
MW455.68 g/mol
LogP7.29
Rot. Bonds9

About N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine

N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine (PubChem CID 69370392) has the molecular formula C28H33N3OSi and a molecular weight of 455.68 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
PubChem CID69370392
Molecular FormulaC28H33N3OSi
Molecular Weight455.68 g/mol
Exact Mass455.24
IUPAC NameN-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
SMILESCN(c1ccccc1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C28H33N3OSi/c1-30(24-13-9-6-10-14-24)25-16-17-26-27(18-15-23-11-7-5-8-12-23)29-31(28(26)21-25)22-32-19-20-33(2,3)4/h5-18,21H,19-20,22H2,1-4H3
InChIKeyYAZATMBNKSTRGJ-UHFFFAOYSA-N
XLogP7.29
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.68
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The IUPAC name of N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine (CID 69370392) is N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine.
What is the SMILES notation for N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The canonical SMILES for N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine is CN(c1ccccc1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The InChIKey is YAZATMBNKSTRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3OSi/c1-30(24-13-9-6-10-14-24)25-16-17-26-27(18-15-23-11-7-5-8-12-23)29-31(28(26)21-25)22-32-19-20-33(2,3)4/h5-18,21H,19-20,22H2,1-4H3.
What are the key properties of N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine has a molecular weight of 455.68 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine is sourced from PubChem (CID 69370392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).