(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane

C35H48Si3 — CID 173474312

IUPAC(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
SMILESCC1=CC(C)([Si](c2ccc([Si](C)(C)C)cc2)(c2ccc([Si](C)(C)C)cc2)c2cc(C)cc(C)c2)C(C)=C1C
InChIInChI=1S/C35H48Si3/c1-25-21-26(2)23-34(22-25)38(35(6)24-27(3)28(4)29(35)5,32-17-13-30(14-18-32)36(7,8)9)33-19-15-31(16-20-33)37(10,11)12/h13-24H,1-12H3
InChIKeyYFULLQRLDWDACD-UHFFFAOYSA-N
MW553.03 g/mol
LogP6.92
Rot. Bonds6

About (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane

(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane (PubChem CID 173474312) has the molecular formula C35H48Si3 and a molecular weight of 553.03 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
PubChem CID173474312
Molecular FormulaC35H48Si3
Molecular Weight553.03 g/mol
Exact Mass552.31
IUPAC Name(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
SMILESCC1=CC(C)([Si](c2ccc([Si](C)(C)C)cc2)(c2ccc([Si](C)(C)C)cc2)c2cc(C)cc(C)c2)C(C)=C1C
InChIInChI=1S/C35H48Si3/c1-25-21-26(2)23-34(22-25)38(35(6)24-27(3)28(4)29(35)5,32-17-13-30(14-18-32)36(7,8)9)33-19-15-31(16-20-33)37(10,11)12/h13-24H,1-12H3
InChIKeyYFULLQRLDWDACD-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.03
LogP ≤ 56.92
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

bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474365
(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473874
tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473425
butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473065
tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473927
bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474111
tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474943
(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473760
tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474429
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

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane?
The IUPAC name of (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane (CID 173474312) is (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane.
What is the SMILES notation for (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane?
The canonical SMILES for (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane is CC1=CC(C)([Si](c2ccc([Si](C)(C)C)cc2)(c2ccc([Si](C)(C)C)cc2)c2cc(C)cc(C)c2)C(C)=C1C.
What is the InChIKey of (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane?
The InChIKey is YFULLQRLDWDACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48Si3/c1-25-21-26(2)23-34(22-25)38(35(6)24-27(3)28(4)29(35)5,32-17-13-30(14-18-32)36(7,8)9)33-19-15-31(16-20-33)37(10,11)12/h13-24H,1-12H3.
What are the key properties of (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane?
(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane has a molecular weight of 553.03 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane is sourced from PubChem (CID 173474312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).