3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide

C60H68N6O3Si2 — CID 160662725

IUPAC3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
SMILESC=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.C=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C31H35N3O2Si.C29H33N3OSi/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5;1-22(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/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35);5-16,19-20H,1,17-18,21,30H2,2-4H3/b17-14+;16-13+
InChIKeyRLWUOSDXAVJJQN-FHMHECKQSA-N
MW977.42 g/mol
LogP14.70
Rot. Bonds19

About 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide

3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide (PubChem CID 160662725) has the molecular formula C60H68N6O3Si2 and a molecular weight of 977.42 g/mol. Its IUPAC name is 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound Name3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
PubChem CID160662725
Molecular FormulaC60H68N6O3Si2
Molecular Weight977.42 g/mol
Exact Mass976.49
IUPAC Name3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
SMILESC=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.C=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C31H35N3O2Si.C29H33N3OSi/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5;1-22(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/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35);5-16,19-20H,1,17-18,21,30H2,2-4H3/b17-14+;16-13+
InChIKeyRLWUOSDXAVJJQN-FHMHECKQSA-N
XLogP14.70
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.42
LogP ≤ 514.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

1-(3-fluorophenyl)-3-(4-(1-((2-(trimethylsilyl)ethoxy)methyl)-3-((trimethylsilyl)ethynyl)-1H-indazol-6-yl)phenyl)urea
CID 66995078
1-(3-fluorophenyl)-3-(4-(3-(1-methyl-1H-pyrazol-4-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-6-yl)phenyl)urea
CID 66995496
(3E)-3-[[3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 69811131
(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 69811132
3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 69811134
(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one
CID 141244659
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
Trimethyl-[2-[[3-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]indazol-1-yl]methoxy]ethyl]silane
CID 102583288
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
N-[3-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]phenyl]benzamide
CID 21877485
N-[3-[3-[(E)-2-(2-formamidophenyl)ethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]phenyl]benzamide
CID 21877503

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide?
The IUPAC name of 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide (CID 160662725) is 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide.
What is the SMILES notation for 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide?
The canonical SMILES for 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide is C=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.C=C(c1cccc(NC(C)=O)c1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide?
The InChIKey is RLWUOSDXAVJJQN-FHMHECKQSA-N. The full InChI is InChI=1S/C31H35N3O2Si.C29H33N3OSi/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5;1-22(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/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35);5-16,19-20H,1,17-18,21,30H2,2-4H3/b17-14+;16-13+.
What are the key properties of 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide?
3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide has a molecular weight of 977.42 g/mol, XLogP of 14.70, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]aniline;N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 160662725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).