(4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane

C46H38Si2 — CID 123318344

IUPAC(4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C46H38Si2/c1-35-31-33-45(43-29-17-15-27-41(35)43)47(37-19-7-3-8-20-37,38-21-9-4-10-22-38)48(39-23-11-5-12-24-39,40-25-13-6-14-26-40)46-34-32-36(2)42-28-16-18-30-44(42)46/h3-34H,1-2H3
InChIKeyOOQJRELVGYPUHP-UHFFFAOYSA-N
MW646.98 g/mol
LogP7.33
Rot. Bonds7

About (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane

(4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane (PubChem CID 123318344) has the molecular formula C46H38Si2 and a molecular weight of 646.98 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane
PubChem CID123318344
Molecular FormulaC46H38Si2
Molecular Weight646.98 g/mol
Exact Mass646.25
IUPAC Name(4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C46H38Si2/c1-35-31-33-45(43-29-17-15-27-41(35)43)47(37-19-7-3-8-20-37,38-21-9-4-10-22-38)48(39-23-11-5-12-24-39,40-25-13-6-14-26-40)46-34-32-36(2)42-28-16-18-30-44(42)46/h3-34H,1-2H3
InChIKeyOOQJRELVGYPUHP-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.98
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane?
The IUPAC name of (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane (CID 123318344) is (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane?
The canonical SMILES for (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane is Cc1ccc([Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccc(C)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane?
The InChIKey is OOQJRELVGYPUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38Si2/c1-35-31-33-45(43-29-17-15-27-41(35)43)47(37-19-7-3-8-20-37,38-21-9-4-10-22-38)48(39-23-11-5-12-24-39,40-25-13-6-14-26-40)46-34-32-36(2)42-28-16-18-30-44(42)46/h3-34H,1-2H3.
What are the key properties of (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane?
(4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane has a molecular weight of 646.98 g/mol, XLogP of 7.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-1-yl)-[(4-methylnaphthalen-1-yl)-diphenylsilyl]-diphenylsilane is sourced from PubChem (CID 123318344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).