ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane

C54H56N4O2Si — CID 159560582

IUPACethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
SMILESC=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCO
InChIInChI=1S/C29H32N2OSi.C23H18N2.C2H6O/c1-23(25-13-9-6-10-14-25)26-16-17-27-28(18-15-24-11-7-5-8-12-24)30-31(29(27)21-26)22-32-19-20-33(2,3)4;1-17(19-10-6-3-7-11-19)20-13-14-21-22(24-25-23(21)16-20)15-12-18-8-4-2-5-9-18;1-2-3/h5-18,21H,1,19-20,22H2,2-4H3;2-16H,1H2,(H,24,25);3H,2H2,1H3/b18-15+;15-12+;
InChIKeyMGOGODBTPIJJLH-GRHNIZTRSA-N
MW821.15 g/mol
LogP13.37
Rot. Bonds13

About ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane

ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (PubChem CID 159560582) has the molecular formula C54H56N4O2Si and a molecular weight of 821.15 g/mol. Its IUPAC name is ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nameethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
PubChem CID159560582
Molecular FormulaC54H56N4O2Si
Molecular Weight821.15 g/mol
Exact Mass820.42
IUPAC Nameethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
SMILESC=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCO
InChIInChI=1S/C29H32N2OSi.C23H18N2.C2H6O/c1-23(25-13-9-6-10-14-25)26-16-17-27-28(18-15-24-11-7-5-8-12-24)30-31(29(27)21-26)22-32-19-20-33(2,3)4;1-17(19-10-6-3-7-11-19)20-13-14-21-22(24-25-23(21)16-20)15-12-18-8-4-2-5-9-18;1-2-3/h5-18,21H,1,19-20,22H2,2-4H3;2-16H,1H2,(H,24,25);3H,2H2,1H3/b18-15+;15-12+;
InChIKeyMGOGODBTPIJJLH-GRHNIZTRSA-N
XLogP13.37
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.15
LogP ≤ 513.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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
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
6-phenyl-3-styryl-1-[2-(trimethyl-silanyl)ethoxymethyl]-1H-indazole
CID 69370044
6-(1-Phenyl-vinyl)-3-styryl-1-[2-(trimethyl-silanyl)-ethoxymethyl]-1H-indazole
CID 69371688
6-(1-(3-acetamido-phenyl)-vinyl)-3-styryl-1-[2-trimethylsilanyl-ethoxymethyl]-1H-indazole
CID 69371792
6-(1-(3-Aminophenyl)-vinyl)-3-styryl 1-[2-trimethylsilanyl-ethoxymethyl]-1H-indazole
CID 69372100
trimethyl-[1-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 69742741
Trimethyl-[1-[[6-phenyl-3-(2-phenylethenyl)indazol-1-yl]methoxy]ethyl]silane
CID 69742742

Frequently Asked Questions

What is the IUPAC name of ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (CID 159560582) is ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is C=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.C=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.CCO.
What is the InChIKey of ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is MGOGODBTPIJJLH-GRHNIZTRSA-N. The full InChI is InChI=1S/C29H32N2OSi.C23H18N2.C2H6O/c1-23(25-13-9-6-10-14-25)26-16-17-27-28(18-15-24-11-7-5-8-12-24)30-31(29(27)21-26)22-32-19-20-33(2,3)4;1-17(19-10-6-3-7-11-19)20-13-14-21-22(24-25-23(21)16-20)15-12-18-8-4-2-5-9-18;1-2-3/h5-18,21H,1,19-20,22H2,2-4H3;2-16H,1H2,(H,24,25);3H,2H2,1H3/b18-15+;15-12+;.
What are the key properties of ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 821.15 g/mol, XLogP of 13.37, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159560582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).