N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine

C28H33N3OSi — CID 90817829

IUPACN-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESCN(c1ccccc1)c1cccc2c1c(C=Cc1ccccc1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C28H33N3OSi/c1-30(24-14-9-6-10-15-24)26-16-11-17-27-28(26)25(19-18-23-12-7-5-8-13-23)29-31(27)22-32-20-21-33(2,3)4/h5-19H,20-22H2,1-4H3
InChIKeyKWVOOZHHXUDKKP-UHFFFAOYSA-N
MW455.68 g/mol
LogP7.29
Rot. Bonds9

About N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine

N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (PubChem CID 90817829) 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-4-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
PubChem CID90817829
Molecular FormulaC28H33N3OSi
Molecular Weight455.68 g/mol
Exact Mass455.24
IUPAC NameN-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESCN(c1ccccc1)c1cccc2c1c(C=Cc1ccccc1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C28H33N3OSi/c1-30(24-14-9-6-10-15-24)26-16-11-17-27-28(26)25(19-18-23-12-7-5-8-13-23)29-31(27)22-32-20-21-33(2,3)4/h5-19H,20-22H2,1-4H3
InChIKeyKWVOOZHHXUDKKP-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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Related Compounds

(Z)-1-[4-(1-benzylindazol-3-yl)phenyl]-N-methoxymethanimine
CID 44451678
Benzyl-3-(4-methylphenyl)-1h-indazole
CID 9944106
2-(4-Methylbenzyl)-3-(4-methylphenyl)-2H-indazole
CID 11515150
2-Benzyl-3-(4-methylphenyl)-2H-indazole
CID 11522253
2-[(3-Bromoindazol-2-yl)methoxy]ethyl-trimethylsilane
CID 11674270
2-((2-(trimethylsilyl)ethoxy)methyl)-2H-indazole
CID 11680369
1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole
CID 11687440
1H-Indazole, 6-iodo-3-[(1E)-2-phenylethenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-
CID 21877255
6-iodo-3-((E)-2-pyridin-2-yl-vinyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole
CID 21877280
6-Nitro-3-[(1E)-2-phenylethenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole
CID 21877348
3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
CID 22494882
Trimethyl-[2-[[3-phenyl-5-[2-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl]silane
CID 22352448

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The IUPAC name of N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (CID 90817829) is N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.
What is the SMILES notation for N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The canonical SMILES for N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is CN(c1ccccc1)c1cccc2c1c(C=Cc1ccccc1)nn2COCC[Si](C)(C)C.
What is the InChIKey of N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The InChIKey is KWVOOZHHXUDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3OSi/c1-30(24-14-9-6-10-15-24)26-16-11-17-27-28(26)25(19-18-23-12-7-5-8-13-23)29-31(27)22-32-20-21-33(2,3)4/h5-19H,20-22H2,1-4H3.
What are the key properties of N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
N-methyl-N-phenyl-3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-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-4-amine is sourced from PubChem (CID 90817829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).