[4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane

C47H54O3S2Si — CID 59027262

IUPAC[4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane
SMILESCCCCCCCCc1ccc(-c2c(CC)cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc([Si](OC)(OC)OC)cc6)cc5)s4)s3)cc2CC)cc1
InChIInChI=1S/C47H54O3S2Si/c1-7-10-11-12-13-14-15-34-16-18-40(19-17-34)47-35(8-2)32-41(33-36(47)9-3)44-29-31-46(52-44)45-30-28-43(51-45)39-22-20-37(21-23-39)38-24-26-42(27-25-38)53(48-4,49-5)50-6/h16-33H,7-15H2,1-6H3
InChIKeyOGPHNOXAYGBGDG-UHFFFAOYSA-N
MW759.17 g/mol
LogP13.26
Rot. Bonds18

About [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane

[4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane (PubChem CID 59027262) has the molecular formula C47H54O3S2Si and a molecular weight of 759.17 g/mol. Its IUPAC name is [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane
PubChem CID59027262
Molecular FormulaC47H54O3S2Si
Molecular Weight759.17 g/mol
Exact Mass758.33
IUPAC Name[4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane
SMILESCCCCCCCCc1ccc(-c2c(CC)cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc([Si](OC)(OC)OC)cc6)cc5)s4)s3)cc2CC)cc1
InChIInChI=1S/C47H54O3S2Si/c1-7-10-11-12-13-14-15-34-16-18-40(19-17-34)47-35(8-2)32-41(33-36(47)9-3)44-29-31-46(52-44)45-30-28-43(51-45)39-22-20-37(21-23-39)38-24-26-42(27-25-38)53(48-4,49-5)50-6/h16-33H,7-15H2,1-6H3
InChIKeyOGPHNOXAYGBGDG-UHFFFAOYSA-N
XLogP13.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.17
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane
CID 59244133
2,5-bis[5-(4-octylphenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59514665
2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
2-(4-methylphenyl)-5-(4-octylphenyl)thieno[3,2-b]thiophene
CID 130318443
2,4,6-tris[5-(4-butylphenyl)thiophen-2-yl]pyrimidine
CID 122204785
2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
CID 59488717
triethoxy-(4-hexylphenyl)silane
CID 146005025
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709

Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane?
The IUPAC name of [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane (CID 59027262) is [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane.
What is the SMILES notation for [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane?
The canonical SMILES for [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane is CCCCCCCCc1ccc(-c2c(CC)cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc([Si](OC)(OC)OC)cc6)cc5)s4)s3)cc2CC)cc1.
What is the InChIKey of [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane?
The InChIKey is OGPHNOXAYGBGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54O3S2Si/c1-7-10-11-12-13-14-15-34-16-18-40(19-17-34)47-35(8-2)32-41(33-36(47)9-3)44-29-31-46(52-44)45-30-28-43(51-45)39-22-20-37(21-23-39)38-24-26-42(27-25-38)53(48-4,49-5)50-6/h16-33H,7-15H2,1-6H3.
What are the key properties of [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane?
[4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane has a molecular weight of 759.17 g/mol, XLogP of 13.26, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane is sourced from PubChem (CID 59027262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).