[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane

C55H44Si2 — CID 170660172

IUPAC[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
SMILESCc1cc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)cc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C55H44Si2/c1-43-38-54(56(48-28-12-4-13-29-48,49-30-14-5-15-31-49)52-36-20-26-46(40-52)44-22-8-2-9-23-44)42-55(39-43)57(50-32-16-6-17-33-50,51-34-18-7-19-35-51)53-37-21-27-47(41-53)45-24-10-3-11-25-45/h2-42H,1H3
InChIKeyJKKXGHDGCAOXEZ-UHFFFAOYSA-N
MW761.13 g/mol
LogP8.08
Rot. Bonds10

About [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane

[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 170660172) has the molecular formula C55H44Si2 and a molecular weight of 761.13 g/mol. Its IUPAC name is [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

Compound Name[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
PubChem CID170660172
Molecular FormulaC55H44Si2
Molecular Weight761.13 g/mol
Exact Mass760.30
IUPAC Name[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
SMILESCc1cc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)cc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C55H44Si2/c1-43-38-54(56(48-28-12-4-13-29-48,49-30-14-5-15-31-49)52-36-20-26-46(40-52)44-22-8-2-9-23-44)42-55(39-43)57(50-32-16-6-17-33-50,51-34-18-7-19-35-51)53-37-21-27-47(41-53)45-24-10-3-11-25-45/h2-42H,1H3
InChIKeyJKKXGHDGCAOXEZ-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.13
LogP ≤ 58.08
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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Related Compounds

[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
bis(3-bromo-5-methylphenyl)-diphenylsilane
CID 158819587
[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane
CID 162701574
[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 158387824
triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155622091
[3-bromo-2,4,6-trideuterio-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168800170
[3-(8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-(3-methylphenyl)-diphenylsilane
CID 174116299
[3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane
CID 155622012
4-methyl-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 138661699
tris[4-(3-fluorophenyl)phenyl]-phenylsilane
CID 176748674
(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520

Frequently Asked Questions

What is the IUPAC name of [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane?
The IUPAC name of [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane (CID 170660172) is [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane.
What is the SMILES notation for [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane?
The canonical SMILES for [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane is Cc1cc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)cc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane?
The InChIKey is JKKXGHDGCAOXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44Si2/c1-43-38-54(56(48-28-12-4-13-29-48,49-30-14-5-15-31-49)52-36-20-26-46(40-52)44-22-8-2-9-23-44)42-55(39-43)57(50-32-16-6-17-33-50,51-34-18-7-19-35-51)53-37-21-27-47(41-53)45-24-10-3-11-25-45/h2-42H,1H3.
What are the key properties of [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane?
[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 761.13 g/mol, XLogP of 8.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 170660172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).