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

C66H58Si — CID 173473344

IUPACtris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)(c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)C(C)=C1C
InChIInChI=1S/C66H58Si/c1-45-38-60(54-32-20-11-21-33-54)63(41-57(45)51-26-14-8-15-27-51)67(66(7)44-48(4)49(5)50(66)6,64-42-58(52-28-16-9-17-29-52)46(2)39-61(64)55-34-22-12-23-35-55)65-43-59(53-30-18-10-19-31-53)47(3)40-62(65)56-36-24-13-25-37-56/h8-44H,1-7H3
InChIKeyYIZLPSQQOKPDDR-UHFFFAOYSA-N
MW879.28 g/mol
LogP16.14
Rot. Bonds10

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

tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473344) has the molecular formula C66H58Si and a molecular weight of 879.28 g/mol. Its IUPAC name is tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473344
Molecular FormulaC66H58Si
Molecular Weight879.28 g/mol
Exact Mass878.43
IUPAC Nametris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)(c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)C(C)=C1C
InChIInChI=1S/C66H58Si/c1-45-38-60(54-32-20-11-21-33-54)63(41-57(45)51-26-14-8-15-27-51)67(66(7)44-48(4)49(5)50(66)6,64-42-58(52-28-16-9-17-29-52)46(2)39-61(64)55-34-22-12-23-35-55)65-43-59(53-30-18-10-19-31-53)47(3)40-62(65)56-36-24-13-25-37-56/h8-44H,1-7H3
InChIKeyYIZLPSQQOKPDDR-UHFFFAOYSA-N
XLogP16.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.28
LogP ≤ 516.14
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

(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane
CID 173473215
bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473659
diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 18686554
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
CID 59782340
tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474943
(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473874
tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474429
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 139604324
(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
CID 173474312
tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474365

Frequently Asked Questions

What is the IUPAC name of tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473344) is tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)(c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)c2cc(-c3ccccc3)c(C)cc2-c2ccccc2)C(C)=C1C.
What is the InChIKey of tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is YIZLPSQQOKPDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H58Si/c1-45-38-60(54-32-20-11-21-33-54)63(41-57(45)51-26-14-8-15-27-51)67(66(7)44-48(4)49(5)50(66)6,64-42-58(52-28-16-9-17-29-52)46(2)39-61(64)55-34-22-12-23-35-55)65-43-59(53-30-18-10-19-31-53)47(3)40-62(65)56-36-24-13-25-37-56/h8-44H,1-7H3.
What are the key properties of tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 879.28 g/mol, XLogP of 16.14, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).