[1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane

C23H34O3Si3 — CID 13024091

IUPAC[1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)Oc1cccc2cc3cccc(O[Si](C)(C)C)c3c(O[Si](C)(C)C)c12
InChIInChI=1S/C23H34O3Si3/c1-27(2,3)24-19-14-10-12-17-16-18-13-11-15-20(25-28(4,5)6)22(18)23(21(17)19)26-29(7,8)9/h10-16H,1-9H3
InChIKeyAVJNPVZJUJAMKN-UHFFFAOYSA-N
MW442.78 g/mol
LogP7.63
Rot. Bonds6

About [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane

[1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane (PubChem CID 13024091) has the molecular formula C23H34O3Si3 and a molecular weight of 442.78 g/mol. Its IUPAC name is [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane
PubChem CID13024091
Molecular FormulaC23H34O3Si3
Molecular Weight442.78 g/mol
Exact Mass442.18
IUPAC Name[1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)Oc1cccc2cc3cccc(O[Si](C)(C)C)c3c(O[Si](C)(C)C)c12
InChIInChI=1S/C23H34O3Si3/c1-27(2,3)24-19-14-10-12-17-16-18-13-11-15-20(25-28(4,5)6)22(18)23(21(17)19)26-29(7,8)9/h10-16H,1-9H3
InChIKeyAVJNPVZJUJAMKN-UHFFFAOYSA-N
XLogP7.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.78
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane?
The IUPAC name of [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane (CID 13024091) is [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane.
What is the SMILES notation for [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane?
The canonical SMILES for [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane is C[Si](C)(C)Oc1cccc2cc3cccc(O[Si](C)(C)C)c3c(O[Si](C)(C)C)c12.
What is the InChIKey of [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane?
The InChIKey is AVJNPVZJUJAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O3Si3/c1-27(2,3)24-19-14-10-12-17-16-18-13-11-15-20(25-28(4,5)6)22(18)23(21(17)19)26-29(7,8)9/h10-16H,1-9H3.
What are the key properties of [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane?
[1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane has a molecular weight of 442.78 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,8-bis(trimethylsilyloxy)anthracen-9-yl]oxy-trimethylsilane is sourced from PubChem (CID 13024091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).