2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane

C25H28OSi2 — CID 139256605

IUPAC2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane
SMILESCOc1c2cccc(C#C[Si](C)(C)C)c2cc2c(C#C[Si](C)(C)C)cccc12
InChIInChI=1S/C25H28OSi2/c1-26-25-21-12-8-10-19(14-16-27(2,3)4)23(21)18-24-20(11-9-13-22(24)25)15-17-28(5,6)7/h8-13,18H,1-7H3
InChIKeyTYDFBRLGCDTNAN-UHFFFAOYSA-N
MW400.67 g/mol
LogP6.46
Rot. Bonds1

About 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane

2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane (PubChem CID 139256605) has the molecular formula C25H28OSi2 and a molecular weight of 400.67 g/mol. Its IUPAC name is 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane
PubChem CID139256605
Molecular FormulaC25H28OSi2
Molecular Weight400.67 g/mol
Exact Mass400.17
IUPAC Name2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane
SMILESCOc1c2cccc(C#C[Si](C)(C)C)c2cc2c(C#C[Si](C)(C)C)cccc12
InChIInChI=1S/C25H28OSi2/c1-26-25-21-12-8-10-19(14-16-27(2,3)4)23(21)18-24-20(11-9-13-22(24)25)15-17-28(5,6)7/h8-13,18H,1-7H3
InChIKeyTYDFBRLGCDTNAN-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.67
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane (CID 139256605) is 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane is COc1c2cccc(C#C[Si](C)(C)C)c2cc2c(C#C[Si](C)(C)C)cccc12.
What is the InChIKey of 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane?
The InChIKey is TYDFBRLGCDTNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28OSi2/c1-26-25-21-12-8-10-19(14-16-27(2,3)4)23(21)18-24-20(11-9-13-22(24)25)15-17-28(5,6)7/h8-13,18H,1-7H3.
What are the key properties of 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane?
2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane has a molecular weight of 400.67 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 139256605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).