tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C72H70Si — CID 158764980

IUPACtris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)(c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)C(C)=C1C
InChIInChI=1S/C72H70Si/c1-50-51(2)53(4)72(52(50)3)73(69-44-63(38-57-26-14-8-15-27-57)54(5)64(45-69)39-58-28-16-9-17-29-58,70-46-65(40-59-30-18-10-19-31-59)55(6)66(47-70)41-60-32-20-11-21-33-60)71-48-67(42-61-34-22-12-23-35-61)56(7)68(49-71)43-62-36-24-13-25-37-62/h8-37,44-49,72H,38-43H2,1-7H3
InChIKeyJUCBZIMLQZKXQF-UHFFFAOYSA-N
MW963.44 g/mol
LogP15.68
Rot. Bonds16

About tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 158764980) has the molecular formula C72H70Si and a molecular weight of 963.44 g/mol. Its IUPAC name is tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID158764980
Molecular FormulaC72H70Si
Molecular Weight963.44 g/mol
Exact Mass962.52
IUPAC Nametris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)(c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)C(C)=C1C
InChIInChI=1S/C72H70Si/c1-50-51(2)53(4)72(52(50)3)73(69-44-63(38-57-26-14-8-15-27-57)54(5)64(45-69)39-58-28-16-9-17-29-58,70-46-65(40-59-30-18-10-19-31-59)55(6)66(47-70)41-60-32-20-11-21-33-60)71-48-67(42-61-34-22-12-23-35-61)56(7)68(49-71)43-62-36-24-13-25-37-62/h8-37,44-49,72H,38-43H2,1-7H3
InChIKeyJUCBZIMLQZKXQF-UHFFFAOYSA-N
XLogP15.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.44
LogP ≤ 515.68
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

bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748108
tris(4,6-dibenzyl-2,3-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123262561
bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748439
tris(2,4-dibenzyl-3,6-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123944477
tris(2,5-dibenzyl-3,6-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123786242
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
tris(3-benzyl-4-methylphenyl)-chlorosilane
CID 88962510
5-benzyl-3,4-dimethylbenzene-1,2-diol
CID 163756803
tris(3,6-dibenzyl-2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123658622
1-benzyl-2,4-diethylbenzene
CID 139691839
tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123408205
tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123316623

Frequently Asked Questions

What is the IUPAC name of tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 158764980) is tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)(c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)c2cc(Cc3ccccc3)c(C)c(Cc3ccccc3)c2)C(C)=C1C.
What is the InChIKey of tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is JUCBZIMLQZKXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H70Si/c1-50-51(2)53(4)72(52(50)3)73(69-44-63(38-57-26-14-8-15-27-57)54(5)64(45-69)39-58-28-16-9-17-29-58,70-46-65(40-59-30-18-10-19-31-59)55(6)66(47-70)41-60-32-20-11-21-33-60)71-48-67(42-61-34-22-12-23-35-61)56(7)68(49-71)43-62-36-24-13-25-37-62/h8-37,44-49,72H,38-43H2,1-7H3.
What are the key properties of tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 963.44 g/mol, XLogP of 15.68, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 158764980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).