[3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane

C19H16Br2Si — CID 11235809

IUPAC[3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#Cc1cccc2ccccc12)=C(Br)Br
InChIInChI=1S/C19H16Br2Si/c1-22(2,3)14-13-17(19(20)21)12-11-16-9-6-8-15-7-4-5-10-18(15)16/h4-10H,1-3H3
InChIKeyDUFWISBYODVSQX-UHFFFAOYSA-N
MW432.23 g/mol
LogP6.07
Rot. Bonds

About [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane

[3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 11235809) has the molecular formula C19H16Br2Si and a molecular weight of 432.23 g/mol. Its IUPAC name is [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane
PubChem CID11235809
Molecular FormulaC19H16Br2Si
Molecular Weight432.23 g/mol
Exact Mass429.94
IUPAC Name[3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#Cc1cccc2ccccc12)=C(Br)Br
InChIInChI=1S/C19H16Br2Si/c1-22(2,3)14-13-17(19(20)21)12-11-16-9-6-8-15-7-4-5-10-18(15)16/h4-10H,1-3H3
InChIKeyDUFWISBYODVSQX-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane (CID 11235809) is [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane is C[Si](C)(C)C#CC(C#Cc1cccc2ccccc12)=C(Br)Br.
What is the InChIKey of [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is DUFWISBYODVSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2Si/c1-22(2,3)14-13-17(19(20)21)12-11-16-9-6-8-15-7-4-5-10-18(15)16/h4-10H,1-3H3.
What are the key properties of [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane?
[3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 432.23 g/mol, XLogP of 6.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dibromomethylidene)-5-naphthalen-1-ylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 11235809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).