2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane

C48H55IN4O2Si2 — CID 159954021

IUPAC2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(-c3ccccc3)cc21.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(I)cc21
InChIInChI=1S/C27H30N2OSi.C21H25IN2OSi/c1-31(2,3)19-18-30-21-29-27-20-24(23-12-8-5-9-13-23)15-16-25(27)26(28-29)17-14-22-10-6-4-7-11-22;1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-17,20H,18-19,21H2,1-3H3;4-12,15H,13-14,16H2,1-3H3/b17-14+;12-9+
InChIKeyOCMDWYRCDOFFRO-VLUQNTCRSA-N
MW903.07 g/mol
LogP13.31
Rot. Bonds15

About 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane

2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (PubChem CID 159954021) has the molecular formula C48H55IN4O2Si2 and a molecular weight of 903.07 g/mol. Its IUPAC name is 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
PubChem CID159954021
Molecular FormulaC48H55IN4O2Si2
Molecular Weight903.07 g/mol
Exact Mass902.29
IUPAC Name2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(-c3ccccc3)cc21.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(I)cc21
InChIInChI=1S/C27H30N2OSi.C21H25IN2OSi/c1-31(2,3)19-18-30-21-29-27-20-24(23-12-8-5-9-13-23)15-16-25(27)26(28-29)17-14-22-10-6-4-7-11-22;1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-17,20H,18-19,21H2,1-3H3;4-12,15H,13-14,16H2,1-3H3/b17-14+;12-9+
InChIKeyOCMDWYRCDOFFRO-VLUQNTCRSA-N
XLogP13.31
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.07
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1H-Indazole, 6-iodo-3-[(1E)-2-phenylethenyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-
CID 21877255
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-[(5-Ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1,1,1-trifluoro-2-iodoethane
CID 160415403
2-[[4-Iodo-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171590383
Trimethyl-[2-[[5-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]indazol-1-yl]methoxy]ethyl]silane
CID 135012146
2-[[6-(2-Ethyl-5-fluoro-4-methylphenyl)-3-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 167682988
Trimethyl-[2-[[3-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]indazol-1-yl]methoxy]ethyl]silane
CID 102583288
2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 20580663
2-[(5-Iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 20580678
2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 20580679
trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 20580774
N-[3-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
CID 21877265

Frequently Asked Questions

What is the IUPAC name of 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (CID 159954021) is 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(-c3ccccc3)cc21.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(I)cc21.
What is the InChIKey of 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is OCMDWYRCDOFFRO-VLUQNTCRSA-N. The full InChI is InChI=1S/C27H30N2OSi.C21H25IN2OSi/c1-31(2,3)19-18-30-21-29-27-20-24(23-12-8-5-9-13-23)15-16-25(27)26(28-29)17-14-22-10-6-4-7-11-22;1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-17,20H,18-19,21H2,1-3H3;4-12,15H,13-14,16H2,1-3H3/b17-14+;12-9+.
What are the key properties of 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 903.07 g/mol, XLogP of 13.31, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159954021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).