2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C30H35N3O6Si — CID 69370102

IUPAC2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOCOc1ccc(-c2ccc3c(C=Cc4ccc([N+](=O)[O-])cc4)nn(COCC[Si](C)(C)C)c3c2)cc1OC
InChIInChI=1S/C30H35N3O6Si/c1-36-21-39-29-15-10-24(19-30(29)37-2)23-9-13-26-27(14-8-22-6-11-25(12-7-22)33(34)35)31-32(28(26)18-23)20-38-16-17-40(3,4)5/h6-15,18-19H,16-17,20-21H2,1-5H3
InChIKeyBWDMXYWHZUYBPM-UHFFFAOYSA-N
MW561.71 g/mol
LogP7.09
Rot. Bonds13

About 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 69370102) has the molecular formula C30H35N3O6Si and a molecular weight of 561.71 g/mol. Its IUPAC name is 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID69370102
Molecular FormulaC30H35N3O6Si
Molecular Weight561.71 g/mol
Exact Mass561.23
IUPAC Name2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOCOc1ccc(-c2ccc3c(C=Cc4ccc([N+](=O)[O-])cc4)nn(COCC[Si](C)(C)C)c3c2)cc1OC
InChIInChI=1S/C30H35N3O6Si/c1-36-21-39-29-15-10-24(19-30(29)37-2)23-9-13-26-27(14-8-22-6-11-25(12-7-22)33(34)35)31-32(28(26)18-23)20-38-16-17-40(3,4)5/h6-15,18-19H,16-17,20-21H2,1-5H3
InChIKeyBWDMXYWHZUYBPM-UHFFFAOYSA-N
XLogP7.09
TPSA97.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.71
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 69370102) is 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is COCOc1ccc(-c2ccc3c(C=Cc4ccc([N+](=O)[O-])cc4)nn(COCC[Si](C)(C)C)c3c2)cc1OC.
What is the InChIKey of 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BWDMXYWHZUYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O6Si/c1-36-21-39-29-15-10-24(19-30(29)37-2)23-9-13-26-27(14-8-22-6-11-25(12-7-22)33(34)35)31-32(28(26)18-23)20-38-16-17-40(3,4)5/h6-15,18-19H,16-17,20-21H2,1-5H3.
What are the key properties of 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 561.71 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 69370102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).