[4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane

C51H56BrClSi — CID 11803508

IUPAC[4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane
SMILESCCCCCCc1cc(-c2cc(Cl)cc(-c3ccc([Si](C)(C)C)cc3)c2)c(CCCCCC)cc1-c1cccc(-c2ccc(-c3cccc(Br)c3)cc2)c1
InChIInChI=1S/C51H56BrClSi/c1-6-8-10-12-16-43-36-51(46-31-45(33-48(53)34-46)39-26-28-49(29-27-39)54(3,4)5)44(17-13-11-9-7-2)35-50(43)42-20-14-18-40(30-42)37-22-24-38(25-23-37)41-19-15-21-47(52)32-41/h14-15,18-36H,6-13,16-17H2,1-5H3
InChIKeyFHIILBRCKAQIQJ-UHFFFAOYSA-N
MW812.45 g/mol
LogP16.23
Rot. Bonds16

About [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane

[4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane (PubChem CID 11803508) has the molecular formula C51H56BrClSi and a molecular weight of 812.45 g/mol. Its IUPAC name is [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane
PubChem CID11803508
Molecular FormulaC51H56BrClSi
Molecular Weight812.45 g/mol
Exact Mass810.30
IUPAC Name[4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane
SMILESCCCCCCc1cc(-c2cc(Cl)cc(-c3ccc([Si](C)(C)C)cc3)c2)c(CCCCCC)cc1-c1cccc(-c2ccc(-c3cccc(Br)c3)cc2)c1
InChIInChI=1S/C51H56BrClSi/c1-6-8-10-12-16-43-36-51(46-31-45(33-48(53)34-46)39-26-28-49(29-27-39)54(3,4)5)44(17-13-11-9-7-2)35-50(43)42-20-14-18-40(30-42)37-22-24-38(25-23-37)41-19-15-21-47(52)32-41/h14-15,18-36H,6-13,16-17H2,1-5H3
InChIKeyFHIILBRCKAQIQJ-UHFFFAOYSA-N
XLogP16.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.45
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-5-chlorophenyl)-4-[3-[4-[3-(2,5-dihexyl-4-iodophenyl)phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 10796404
[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 102101091
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
9-[3,5-bis(3-bromophenyl)phenyl]-10-(3,5-dipentylphenyl)anthracene
CID 134392863
1-[3-[4-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3-heptylphenyl]phenyl]-3,5-dimethylbenzene
CID 59546699
1-bromo-3-(4-butylphenyl)benzene
CID 83666147
(4-bromo-3-hexylphenyl)-trimethylsilane
CID 59243947
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
CID 90243397
1-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-5-(4-methylphenyl)naphthalene
CID 123328178
4-(3-bromophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66199444
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane (CID 11803508) is [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane is CCCCCCc1cc(-c2cc(Cl)cc(-c3ccc([Si](C)(C)C)cc3)c2)c(CCCCCC)cc1-c1cccc(-c2ccc(-c3cccc(Br)c3)cc2)c1.
What is the InChIKey of [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane?
The InChIKey is FHIILBRCKAQIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56BrClSi/c1-6-8-10-12-16-43-36-51(46-31-45(33-48(53)34-46)39-26-28-49(29-27-39)54(3,4)5)44(17-13-11-9-7-2)35-50(43)42-20-14-18-40(30-42)37-22-24-38(25-23-37)41-19-15-21-47(52)32-41/h14-15,18-36H,6-13,16-17H2,1-5H3.
What are the key properties of [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane?
[4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane has a molecular weight of 812.45 g/mol, XLogP of 16.23, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-[3-[4-(3-bromophenyl)phenyl]phenyl]-2,5-dihexylphenyl]-5-chlorophenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 11803508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).