[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane

C44H54Si2 — CID 102101091

IUPAC[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESCCCCc1cc(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)c(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)cc1CCCC
InChIInChI=1S/C44H54Si2/c1-9-11-13-39-31-43(37-19-15-33(16-20-37)35-23-27-41(28-24-35)45(3,4)5)44(32-40(39)14-12-10-2)38-21-17-34(18-22-38)36-25-29-42(30-26-36)46(6,7)8/h15-32H,9-14H2,1-8H3
InChIKeyXEYKTDJMRYKPFY-UHFFFAOYSA-N
MW639.09 g/mol
LogP12.13
Rot. Bonds12

About [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane

[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 102101091) has the molecular formula C44H54Si2 and a molecular weight of 639.09 g/mol. Its IUPAC name is [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID102101091
Molecular FormulaC44H54Si2
Molecular Weight639.09 g/mol
Exact Mass638.38
IUPAC Name[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESCCCCc1cc(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)c(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)cc1CCCC
InChIInChI=1S/C44H54Si2/c1-9-11-13-39-31-43(37-19-15-33(16-20-37)35-23-27-41(28-24-35)45(3,4)5)44(32-40(39)14-12-10-2)38-21-17-34(18-22-38)36-25-29-42(30-26-36)46(6,7)8/h15-32H,9-14H2,1-8H3
InChIKeyXEYKTDJMRYKPFY-UHFFFAOYSA-N
XLogP12.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.09
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3-butyl-4-fluorophenyl)-trimethylsilane
CID 15292812
(4-bromo-3-hexylphenyl)-trimethylsilane
CID 59243947
[4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane
CID 11803508
1-butyl-4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]-2-propylbenzene
CID 123979323
(4-decylphenyl)-trimethylsilane
CID 69331769
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene
CID 155761642
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
3-[4-(4-butylphenyl)phenyl]-2,5,6-trifluoropyridine
CID 23190501
4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 89402899

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane (CID 102101091) is [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane is CCCCc1cc(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)c(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)cc1CCCC.
What is the InChIKey of [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is XEYKTDJMRYKPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54Si2/c1-9-11-13-39-31-43(37-19-15-33(16-20-37)35-23-27-41(28-24-35)45(3,4)5)44(32-40(39)14-12-10-2)38-21-17-34(18-22-38)36-25-29-42(30-26-36)46(6,7)8/h15-32H,9-14H2,1-8H3.
What are the key properties of [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 639.09 g/mol, XLogP of 12.13, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 102101091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).