[2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane

C32H54N2O2Si5 — CID 102584278

IUPAC[2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane
SMILESCOc1ccc(C2=N[Si]3(C(c4ccc(OC)cc4)=N2)C([Si](C)(C)C)([Si](C)(C)C)CCC3([Si](C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C32H54N2O2Si5/c1-35-27-19-15-25(16-20-27)29-33-30(26-17-21-28(36-2)22-18-26)41(34-29)31(37(3,4)5,38(6,7)8)23-24-32(41,39(9,10)11)40(12,13)14/h15-22H,23-24H2,1-14H3
InChIKeyYHIQNKYURVGJLD-UHFFFAOYSA-N
MW639.23 g/mol
LogP9.22
Rot. Bonds8

About [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane

[2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane (PubChem CID 102584278) has the molecular formula C32H54N2O2Si5 and a molecular weight of 639.23 g/mol. Its IUPAC name is [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane.

Molecular Properties

Compound Name[2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane
PubChem CID102584278
Molecular FormulaC32H54N2O2Si5
Molecular Weight639.23 g/mol
Exact Mass638.30
IUPAC Name[2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane
SMILESCOc1ccc(C2=N[Si]3(C(c4ccc(OC)cc4)=N2)C([Si](C)(C)C)([Si](C)(C)C)CCC3([Si](C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C32H54N2O2Si5/c1-35-27-19-15-25(16-20-27)29-33-30(26-17-21-28(36-2)22-18-26)41(34-29)31(37(3,4)5,38(6,7)8)23-24-32(41,39(9,10)11)40(12,13)14/h15-22H,23-24H2,1-14H3
InChIKeyYHIQNKYURVGJLD-UHFFFAOYSA-N
XLogP9.22
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.23
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane?
The IUPAC name of [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane (CID 102584278) is [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane.
What is the SMILES notation for [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane?
The canonical SMILES for [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane is COc1ccc(C2=N[Si]3(C(c4ccc(OC)cc4)=N2)C([Si](C)(C)C)([Si](C)(C)C)CCC3([Si](C)(C)C)[Si](C)(C)C)cc1.
What is the InChIKey of [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane?
The InChIKey is YHIQNKYURVGJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2O2Si5/c1-35-27-19-15-25(16-20-27)29-33-30(26-17-21-28(36-2)22-18-26)41(34-29)31(37(3,4)5,38(6,7)8)23-24-32(41,39(9,10)11)40(12,13)14/h15-22H,23-24H2,1-14H3.
What are the key properties of [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane?
[2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane has a molecular weight of 639.23 g/mol, XLogP of 9.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane is sourced from PubChem (CID 102584278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).