1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol

C30H30O2Si2 — CID 10939742

IUPAC1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol
SMILESC[Si](C)(C)C#Cc1ccc2c(-c3c(O)ccc4cc(C#C[Si](C)(C)C)ccc34)c(O)ccc2c1
InChIInChI=1S/C30H30O2Si2/c1-33(2,3)17-15-21-7-11-25-23(19-21)9-13-27(31)29(25)30-26-12-8-22(16-18-34(4,5)6)20-24(26)10-14-28(30)32/h7-14,19-20,31-32H,1-6H3
InChIKeyPZPVMXSMJCXYRO-UHFFFAOYSA-N
MW478.74 g/mol
LogP7.53
Rot. Bonds1

About 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol

1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol (PubChem CID 10939742) has the molecular formula C30H30O2Si2 and a molecular weight of 478.74 g/mol. Its IUPAC name is 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol
PubChem CID10939742
Molecular FormulaC30H30O2Si2
Molecular Weight478.74 g/mol
Exact Mass478.18
IUPAC Name1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol
SMILESC[Si](C)(C)C#Cc1ccc2c(-c3c(O)ccc4cc(C#C[Si](C)(C)C)ccc34)c(O)ccc2c1
InChIInChI=1S/C30H30O2Si2/c1-33(2,3)17-15-21-7-11-25-23(19-21)9-13-27(31)29(25)30-26-12-8-22(16-18-34(4,5)6)20-24(26)10-14-28(30)32/h7-14,19-20,31-32H,1-6H3
InChIKeyPZPVMXSMJCXYRO-UHFFFAOYSA-N
XLogP7.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.74
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol (CID 10939742) is 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol is C[Si](C)(C)C#Cc1ccc2c(-c3c(O)ccc4cc(C#C[Si](C)(C)C)ccc34)c(O)ccc2c1.
What is the InChIKey of 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol?
The InChIKey is PZPVMXSMJCXYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2Si2/c1-33(2,3)17-15-21-7-11-25-23(19-21)9-13-27(31)29(25)30-26-12-8-22(16-18-34(4,5)6)20-24(26)10-14-28(30)32/h7-14,19-20,31-32H,1-6H3.
What are the key properties of 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol?
1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol has a molecular weight of 478.74 g/mol, XLogP of 7.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-(2-trimethylsilylethynyl)naphthalen-1-yl]-6-(2-trimethylsilylethynyl)naphthalen-2-ol is sourced from PubChem (CID 10939742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).