tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C72H70Si — CID 123316623

IUPACtris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)(c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)=C1C
InChIInChI=1S/C72H70Si/c1-50-38-63(41-57-26-14-8-15-27-57)47-66(44-60-32-20-11-21-33-60)69(50)73(72-55(6)53(4)54(5)56(72)7,70-51(2)39-64(42-58-28-16-9-17-29-58)48-67(70)45-61-34-22-12-23-35-61)71-52(3)40-65(43-59-30-18-10-19-31-59)49-68(71)46-62-36-24-13-25-37-62/h8-40,47-49,55H,41-46H2,1-7H3
InChIKeyDJTTYGYZEGFOMP-UHFFFAOYSA-N
MW963.44 g/mol
LogP15.47
Rot. Bonds16

About tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123316623) has the molecular formula C72H70Si and a molecular weight of 963.44 g/mol. Its IUPAC name is tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123316623
Molecular FormulaC72H70Si
Molecular Weight963.44 g/mol
Exact Mass962.52
IUPAC Nametris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)(c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)=C1C
InChIInChI=1S/C72H70Si/c1-50-38-63(41-57-26-14-8-15-27-57)47-66(44-60-32-20-11-21-33-60)69(50)73(72-55(6)53(4)54(5)56(72)7,70-51(2)39-64(42-58-28-16-9-17-29-58)48-67(70)45-61-34-22-12-23-35-61)71-52(3)40-65(43-59-30-18-10-19-31-59)49-68(71)46-62-36-24-13-25-37-62/h8-40,47-49,55H,41-46H2,1-7H3
InChIKeyDJTTYGYZEGFOMP-UHFFFAOYSA-N
XLogP15.47
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 ≤ 515.47
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(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123316623) is tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)(c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)c2c(C)cc(Cc3ccccc3)cc2Cc2ccccc2)=C1C.
What is the InChIKey of tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is DJTTYGYZEGFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H70Si/c1-50-38-63(41-57-26-14-8-15-27-57)47-66(44-60-32-20-11-21-33-60)69(50)73(72-55(6)53(4)54(5)56(72)7,70-51(2)39-64(42-58-28-16-9-17-29-58)48-67(70)45-61-34-22-12-23-35-61)71-52(3)40-65(43-59-30-18-10-19-31-59)49-68(71)46-62-36-24-13-25-37-62/h8-40,47-49,55H,41-46H2,1-7H3.
What are the key properties of tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 963.44 g/mol, XLogP of 15.47, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123316623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).