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

C48H46Si — CID 123565851

IUPACtris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc(C)ccc2-c2ccccc2)(c2cc(C)ccc2-c2ccccc2)c2cc(C)ccc2-c2ccccc2)=C1C
InChIInChI=1S/C48H46Si/c1-32-23-26-42(39-17-11-8-12-18-39)45(29-32)49(48-37(6)35(4)36(5)38(48)7,46-30-33(2)24-27-43(46)40-19-13-9-14-20-40)47-31-34(3)25-28-44(47)41-21-15-10-16-22-41/h8-31,37H,1-7H3
InChIKeyFKRYKUIJYQTXBP-UHFFFAOYSA-N
MW650.98 g/mol
LogP10.92
Rot. Bonds7

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

tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123565851) has the molecular formula C48H46Si and a molecular weight of 650.98 g/mol. Its IUPAC name is tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123565851
Molecular FormulaC48H46Si
Molecular Weight650.98 g/mol
Exact Mass650.34
IUPAC Nametris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc(C)ccc2-c2ccccc2)(c2cc(C)ccc2-c2ccccc2)c2cc(C)ccc2-c2ccccc2)=C1C
InChIInChI=1S/C48H46Si/c1-32-23-26-42(39-17-11-8-12-18-39)45(29-32)49(48-37(6)35(4)36(5)38(48)7,46-30-33(2)24-27-43(46)40-19-13-9-14-20-40)47-31-34(3)25-28-44(47)41-21-15-10-16-22-41/h8-31,37H,1-7H3
InChIKeyFKRYKUIJYQTXBP-UHFFFAOYSA-N
XLogP10.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.98
LogP ≤ 510.92
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

tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123908492
tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123447228
(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123824449
tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 88962483
tris(3-methyl-2,4,5,6-tetraphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123940092
(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123169075
trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane
CID 123948663
(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123421770
1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene
CID 141312079
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140632052
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641

Frequently Asked Questions

What is the IUPAC name of tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123565851) is tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2cc(C)ccc2-c2ccccc2)(c2cc(C)ccc2-c2ccccc2)c2cc(C)ccc2-c2ccccc2)=C1C.
What is the InChIKey of tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is FKRYKUIJYQTXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46Si/c1-32-23-26-42(39-17-11-8-12-18-39)45(29-32)49(48-37(6)35(4)36(5)38(48)7,46-30-33(2)24-27-43(46)40-19-13-9-14-20-40)47-31-34(3)25-28-44(47)41-21-15-10-16-22-41/h8-31,37H,1-7H3.
What are the key properties of tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 650.98 g/mol, XLogP of 10.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123565851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).