tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C51H52Si — CID 123447228

IUPACtris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccc(C)c(-c3ccccc3)c2C)(c2ccc(C)c(-c3ccccc3)c2C)c2ccc(C)c(-c3ccccc3)c2C)=C1C
InChIInChI=1S/C51H52Si/c1-32-26-29-45(39(8)48(32)42-20-14-11-15-21-42)52(51-37(6)35(4)36(5)38(51)7,46-30-27-33(2)49(40(46)9)43-22-16-12-17-23-43)47-31-28-34(3)50(41(47)10)44-24-18-13-19-25-44/h11-31,37H,1-10H3
InChIKeyWVAVHKQJENEYPW-UHFFFAOYSA-N
MW693.06 g/mol
LogP11.85
Rot. Bonds7

About tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123447228) has the molecular formula C51H52Si and a molecular weight of 693.06 g/mol. Its IUPAC name is tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123447228
Molecular FormulaC51H52Si
Molecular Weight693.06 g/mol
Exact Mass692.38
IUPAC Nametris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccc(C)c(-c3ccccc3)c2C)(c2ccc(C)c(-c3ccccc3)c2C)c2ccc(C)c(-c3ccccc3)c2C)=C1C
InChIInChI=1S/C51H52Si/c1-32-26-29-45(39(8)48(32)42-20-14-11-15-21-42)52(51-37(6)35(4)36(5)38(51)7,46-30-27-33(2)49(40(46)9)43-22-16-12-17-23-43)47-31-28-34(3)50(41(47)10)44-24-18-13-19-25-44/h11-31,37H,1-10H3
InChIKeyWVAVHKQJENEYPW-UHFFFAOYSA-N
XLogP11.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.06
LogP ≤ 511.85
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-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123447228) is tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2ccc(C)c(-c3ccccc3)c2C)(c2ccc(C)c(-c3ccccc3)c2C)c2ccc(C)c(-c3ccccc3)c2C)=C1C.
What is the InChIKey of tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is WVAVHKQJENEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52Si/c1-32-26-29-45(39(8)48(32)42-20-14-11-15-21-42)52(51-37(6)35(4)36(5)38(51)7,46-30-27-33(2)49(40(46)9)43-22-16-12-17-23-43)47-31-28-34(3)50(41(47)10)44-24-18-13-19-25-44/h11-31,37H,1-10H3.
What are the key properties of tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 693.06 g/mol, XLogP of 11.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123447228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).