3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine

C55H61N7OSi — CID 161001593

IUPAC3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine
SMILESC=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCCN
InChIInChI=1S/C29H33N3OSi.C23H19N3.C3H9N/c1-22(24-11-8-12-26(30)19-24)25-14-15-27-28(16-13-23-9-6-5-7-10-23)31-32(29(27)20-25)21-33-17-18-34(2,3)4;1-16(18-8-5-9-20(24)14-18)19-11-12-21-22(25-26-23(21)15-19)13-10-17-6-3-2-4-7-17;1-2-3-4/h5-16,19-20H,1,17-18,21,30H2,2-4H3;2-15H,1,24H2,(H,25,26);2-4H2,1H3/b16-13+;13-10+;
InChIKeyTVYIRVXKKNXWJS-YKWIDIFESA-N
MW864.23 g/mol
LogP12.89
Rot. Bonds14

About 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine

3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine (PubChem CID 161001593) has the molecular formula C55H61N7OSi and a molecular weight of 864.23 g/mol. Its IUPAC name is 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine.

Molecular Properties

Compound Name3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine
PubChem CID161001593
Molecular FormulaC55H61N7OSi
Molecular Weight864.23 g/mol
Exact Mass863.47
IUPAC Name3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine
SMILESC=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCCN
InChIInChI=1S/C29H33N3OSi.C23H19N3.C3H9N/c1-22(24-11-8-12-26(30)19-24)25-14-15-27-28(16-13-23-9-6-5-7-10-23)31-32(29(27)20-25)21-33-17-18-34(2,3)4;1-16(18-8-5-9-20(24)14-18)19-11-12-21-22(25-26-23(21)15-19)13-10-17-6-3-2-4-7-17;1-2-3-4/h5-16,19-20H,1,17-18,21,30H2,2-4H3;2-15H,1,24H2,(H,25,26);2-4H2,1H3/b16-13+;13-10+;
InChIKeyTVYIRVXKKNXWJS-YKWIDIFESA-N
XLogP12.89
TPSA133.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.23
LogP ≤ 512.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

Analyze 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine with MolForge

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Related Compounds

6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1,1,1-trifluoro-3-hydroxypropan-2-one;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 158357251
2-[2-[3-[Tert-butyl(diphenyl)silyl]oxypropyl]-6-[2-(trifluoromethyl)phenyl]indazol-3-yl]benzene-1,3-diamine
CID 175056072
Trimethyl-[2-[[3-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]indazol-1-yl]methoxy]ethyl]silane
CID 102583288
3-Phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-5-amine
CID 20580705
N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
CID 21877265
3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline
CID 21877297
trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 21877508
trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 21877596
5-amino-3-phenethyl-1-(2-trimethylsilanylethoxymethyl)-1H-indazole
CID 22567185
trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 22978343
trimethyl-[2-[[6-pentyl-3-(2H-triazol-4-yl)indazol-1-yl]methoxy]ethyl]silane
CID 58515219
6-phenyl-3-styryl-1-[2-(trimethyl-silanyl)ethoxymethyl]-1H-indazole
CID 69370044

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine?
The IUPAC name of 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine (CID 161001593) is 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine.
What is the SMILES notation for 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine?
The canonical SMILES for 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine is C=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCCN.
What is the InChIKey of 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine?
The InChIKey is TVYIRVXKKNXWJS-YKWIDIFESA-N. The full InChI is InChI=1S/C29H33N3OSi.C23H19N3.C3H9N/c1-22(24-11-8-12-26(30)19-24)25-14-15-27-28(16-13-23-9-6-5-7-10-23)31-32(29(27)20-25)21-33-17-18-34(2,3)4;1-16(18-8-5-9-20(24)14-18)19-11-12-21-22(25-26-23(21)15-19)13-10-17-6-3-2-4-7-17;1-2-3-4/h5-16,19-20H,1,17-18,21,30H2,2-4H3;2-15H,1,24H2,(H,25,26);2-4H2,1H3/b16-13+;13-10+;.
What are the key properties of 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine?
3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine has a molecular weight of 864.23 g/mol, XLogP of 12.89, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline;3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;propan-1-amine is sourced from PubChem (CID 161001593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).