(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C34H44Si2 — CID 123169075

IUPAC(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccccc2)(c2cc(C)cc([Si](C)(C)C)c2C)c2c(C)cccc2C)=C1C
InChIInChI=1S/C34H44Si2/c1-22-20-31(35(9,10)11)29(8)32(21-22)36(30-18-13-12-14-19-30,33-23(2)16-15-17-24(33)3)34-27(6)25(4)26(5)28(34)7/h12-21,27H,1-11H3
InChIKeyPRZNHMISWFGNRI-UHFFFAOYSA-N
MW508.90 g/mol
LogP6.78
Rot. Bonds5

About (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123169075) has the molecular formula C34H44Si2 and a molecular weight of 508.90 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123169075
Molecular FormulaC34H44Si2
Molecular Weight508.90 g/mol
Exact Mass508.30
IUPAC Name(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccccc2)(c2cc(C)cc([Si](C)(C)C)c2C)c2c(C)cccc2C)=C1C
InChIInChI=1S/C34H44Si2/c1-22-20-31(35(9,10)11)29(8)32(21-22)36(30-18-13-12-14-19-30,33-23(2)16-15-17-24(33)3)34-27(6)25(4)26(5)28(34)7/h12-21,27H,1-11H3
InChIKeyPRZNHMISWFGNRI-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.90
LogP ≤ 56.78
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(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123649391
(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123456533
trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane
CID 123948663
tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140632013
tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123309885
tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123218086
tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123908492
tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140632052
tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123324851
(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123824449
tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123565851
tris(4,6-dibenzyl-2,3-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123262561

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123169075) is (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2ccccc2)(c2cc(C)cc([Si](C)(C)C)c2C)c2c(C)cccc2C)=C1C.
What is the InChIKey of (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is PRZNHMISWFGNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44Si2/c1-22-20-31(35(9,10)11)29(8)32(21-22)36(30-18-13-12-14-19-30,33-23(2)16-15-17-24(33)3)34-27(6)25(4)26(5)28(34)7/h12-21,27H,1-11H3.
What are the key properties of (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 508.90 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123169075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).