2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione

C26H26O4Si2 — CID 15174827

IUPAC2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione
SMILESC[Si](C)(C)C1=C(C2=C([Si](C)(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H26O4Si2/c1-31(2,3)25-19(21(27)15-11-7-9-13-17(15)23(25)29)20-22(28)16-12-8-10-14-18(16)24(30)26(20)32(4,5)6/h7-14H,1-6H3
InChIKeyZMCNPKXEHLGTIQ-UHFFFAOYSA-N
MW458.66 g/mol
LogP5.49
Rot. Bonds3

About 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione

2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione (PubChem CID 15174827) has the molecular formula C26H26O4Si2 and a molecular weight of 458.66 g/mol. Its IUPAC name is 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione
PubChem CID15174827
Molecular FormulaC26H26O4Si2
Molecular Weight458.66 g/mol
Exact Mass458.14
IUPAC Name2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione
SMILESC[Si](C)(C)C1=C(C2=C([Si](C)(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H26O4Si2/c1-31(2,3)25-19(21(27)15-11-7-9-13-17(15)23(25)29)20-22(28)16-12-8-10-14-18(16)24(30)26(20)32(4,5)6/h7-14H,1-6H3
InChIKeyZMCNPKXEHLGTIQ-UHFFFAOYSA-N
XLogP5.49
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.66
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione?
The IUPAC name of 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione (CID 15174827) is 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione.
What is the SMILES notation for 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione?
The canonical SMILES for 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione is C[Si](C)(C)C1=C(C2=C([Si](C)(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione?
The InChIKey is ZMCNPKXEHLGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O4Si2/c1-31(2,3)25-19(21(27)15-11-7-9-13-17(15)23(25)29)20-22(28)16-12-8-10-14-18(16)24(30)26(20)32(4,5)6/h7-14H,1-6H3.
What are the key properties of 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione?
2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione has a molecular weight of 458.66 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3-trimethylsilylnaphthalen-2-yl)-3-trimethylsilylnaphthalene-1,4-dione is sourced from PubChem (CID 15174827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).