tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane

C71H60Si — CID 173474766

IUPACtris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane
SMILESC1=CC(c2ccccc2)=C([Si](c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)(c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)C1
InChIInChI=1S/C71H60Si/c1-8-23-54(24-9-1)39-60-45-61(40-55-25-10-2-11-26-55)49-67(48-60)72(71-38-22-37-70(71)66-35-20-7-21-36-66,68-50-62(41-56-27-12-3-13-28-56)46-63(51-68)42-57-29-14-4-15-30-57)69-52-64(43-58-31-16-5-17-32-58)47-65(53-69)44-59-33-18-6-19-34-59/h1-37,45-53H,38-44H2
InChIKeyGAUQAHOMQXJHFB-UHFFFAOYSA-N
MW941.35 g/mol
LogP14.65
Rot. Bonds17

About tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane

tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 173474766) has the molecular formula C71H60Si and a molecular weight of 941.35 g/mol. Its IUPAC name is tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane
PubChem CID173474766
Molecular FormulaC71H60Si
Molecular Weight941.35 g/mol
Exact Mass940.45
IUPAC Nametris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane
SMILESC1=CC(c2ccccc2)=C([Si](c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)(c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)C1
InChIInChI=1S/C71H60Si/c1-8-23-54(24-9-1)39-60-45-61(40-55-25-10-2-11-26-55)49-67(48-60)72(71-38-22-37-70(71)66-35-20-7-21-36-66,68-50-62(41-56-27-12-3-13-28-56)46-63(51-68)42-57-29-14-4-15-30-57)69-52-64(43-58-31-16-5-17-32-58)47-65(53-69)44-59-33-18-6-19-34-59/h1-37,45-53H,38-44H2
InChIKeyGAUQAHOMQXJHFB-UHFFFAOYSA-N
XLogP14.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.35
LogP ≤ 514.65
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 tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane (CID 173474766) is tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane is C1=CC(c2ccccc2)=C([Si](c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)(c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)C1.
What is the InChIKey of tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is GAUQAHOMQXJHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H60Si/c1-8-23-54(24-9-1)39-60-45-61(40-55-25-10-2-11-26-55)49-67(48-60)72(71-38-22-37-70(71)66-35-20-7-21-36-66,68-50-62(41-56-27-12-3-13-28-56)46-63(51-68)42-57-29-14-4-15-30-57)69-52-64(43-58-31-16-5-17-32-58)47-65(53-69)44-59-33-18-6-19-34-59/h1-37,45-53H,38-44H2.
What are the key properties of tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 941.35 g/mol, XLogP of 14.65, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 173474766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).