benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane

C36H28F2Si2 — CID 139633972

IUPACbenzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane
SMILESF[Si](C#C[Si](F)(Cc1ccccc1)c1ccc2ccccc2c1)(Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C36H28F2Si2/c37-39(27-29-11-3-1-4-12-29,35-21-19-31-15-7-9-17-33(31)25-35)23-24-40(38,28-30-13-5-2-6-14-30)36-22-20-32-16-8-10-18-34(32)26-36/h1-22,25-26H,27-28H2
InChIKeyBLRSIIWOHXUCGC-UHFFFAOYSA-N
MW554.79 g/mol
LogP7.58
Rot. Bonds6

About benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane

benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane (PubChem CID 139633972) has the molecular formula C36H28F2Si2 and a molecular weight of 554.79 g/mol. Its IUPAC name is benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane.

Molecular Properties

Compound Namebenzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane
PubChem CID139633972
Molecular FormulaC36H28F2Si2
Molecular Weight554.79 g/mol
Exact Mass554.17
IUPAC Namebenzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane
SMILESF[Si](C#C[Si](F)(Cc1ccccc1)c1ccc2ccccc2c1)(Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C36H28F2Si2/c37-39(27-29-11-3-1-4-12-29,35-21-19-31-15-7-9-17-33(31)25-35)23-24-40(38,28-30-13-5-2-6-14-30)36-22-20-32-16-8-10-18-34(32)26-36/h1-22,25-26H,27-28H2
InChIKeyBLRSIIWOHXUCGC-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.79
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trichloro(naphthalen-2-yl)silane
CID 59664290
2-benzylnaphthalene
CID 11948
di(anthracen-2-yl)-dimethylsilane
CID 102215644
benzyl-fluoro-dimethylsilane
CID 11105764
anthracene;benzene;naphthalene
CID 142706236
dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane
CID 139634018
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123472520
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
trimethyl-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]silane
CID 171056374
dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane
CID 123493288
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane?
The IUPAC name of benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane (CID 139633972) is benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane.
What is the SMILES notation for benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane?
The canonical SMILES for benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane is F[Si](C#C[Si](F)(Cc1ccccc1)c1ccc2ccccc2c1)(Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane?
The InChIKey is BLRSIIWOHXUCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F2Si2/c37-39(27-29-11-3-1-4-12-29,35-21-19-31-15-7-9-17-33(31)25-35)23-24-40(38,28-30-13-5-2-6-14-30)36-22-20-32-16-8-10-18-34(32)26-36/h1-22,25-26H,27-28H2.
What are the key properties of benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane?
benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane has a molecular weight of 554.79 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(benzyl-fluoro-naphthalen-2-ylsilyl)ethynyl]-fluoro-naphthalen-2-ylsilane is sourced from PubChem (CID 139633972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).