3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole

C159H204O8Si2 — CID 153429512

IUPAC3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole
SMILESC=COCCCCOc1ccc(CCCCCCOc2ccc(-c3ccc(-c4ccc5c(c4)[Si](CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(-c7ccc(OCCCCCCCC)cc7)cc6)ccc4-5)cc3)cc2)cc1CCCc1cc(CCCCCCOc2ccc(-c3ccc(-c4ccc5c(c4)[Si](CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(-c7ccc(OCCCCCCCC)cc7)cc6)ccc4-5)cc3)cc2)ccc1OCCCCOC=C
InChIInChI=1S/C159H204O8Si2/c1-9-17-23-29-37-47-110-162-146-94-82-132(83-95-146)128-66-74-136(75-67-128)140-90-102-150-152-104-92-142(124-158(152)168(156(150)122-140,116-55-41-31-25-19-11-3)117-56-42-32-26-20-12-4)138-78-70-130(71-79-138)134-86-98-148(99-87-134)164-112-49-39-35-45-60-126-64-106-154(166-114-53-51-108-160-15-7)144(120-126)62-59-63-145-121-127(65-107-155(145)167-115-54-52-109-161-16-8)61-46-36-40-50-113-165-149-100-88-135(89-101-149)131-72-80-139(81-73-131)143-93-105-153-151-103-91-141(137-76-68-129(69-77-137)133-84-96-147(97-85-133)163-111-48-38-30-24-18-10-2)123-157(151)169(159(153)125-143,118-57-43-33-27-21-13-5)119-58-44-34-28-22-14-6/h15-16,64-107,120-125H,7-14,17-63,108-119H2,1-6H3
InChIKeyXYHWOWCEYBUFPY-UHFFFAOYSA-N
MW2299.54 g/mol
LogP44.21
Rot. Bonds86

About 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole

3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole (PubChem CID 153429512) has the molecular formula C159H204O8Si2 and a molecular weight of 2299.54 g/mol. Its IUPAC name is 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole
PubChem CID153429512
Molecular FormulaC159H204O8Si2
Molecular Weight2299.54 g/mol
Exact Mass2297.51
IUPAC Name3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole
SMILESC=COCCCCOc1ccc(CCCCCCOc2ccc(-c3ccc(-c4ccc5c(c4)[Si](CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(-c7ccc(OCCCCCCCC)cc7)cc6)ccc4-5)cc3)cc2)cc1CCCc1cc(CCCCCCOc2ccc(-c3ccc(-c4ccc5c(c4)[Si](CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(-c7ccc(OCCCCCCCC)cc7)cc6)ccc4-5)cc3)cc2)ccc1OCCCCOC=C
InChIInChI=1S/C159H204O8Si2/c1-9-17-23-29-37-47-110-162-146-94-82-132(83-95-146)128-66-74-136(75-67-128)140-90-102-150-152-104-92-142(124-158(152)168(156(150)122-140,116-55-41-31-25-19-11-3)117-56-42-32-26-20-12-4)138-78-70-130(71-79-138)134-86-98-148(99-87-134)164-112-49-39-35-45-60-126-64-106-154(166-114-53-51-108-160-15-7)144(120-126)62-59-63-145-121-127(65-107-155(145)167-115-54-52-109-161-16-8)61-46-36-40-50-113-165-149-100-88-135(89-101-149)131-72-80-139(81-73-131)143-93-105-153-151-103-91-141(137-76-68-129(69-77-137)133-84-96-147(97-85-133)163-111-48-38-30-24-18-10-2)123-157(151)169(159(153)125-143,118-57-43-33-27-21-13-5)119-58-44-34-28-22-14-6/h15-16,64-107,120-125H,7-14,17-63,108-119H2,1-6H3
InChIKeyXYHWOWCEYBUFPY-UHFFFAOYSA-N
XLogP44.21
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds86
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002299.54
LogP ≤ 544.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole with MolForge

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Related Compounds

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2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
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CID 54277450
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
8-[4-[4-(2,3-dihydroxypropoxy)-3-nonylphenyl]phenoxy]octane-1,2-diol
CID 101122487
4-(2,4-dioctylphenoxy)butane-1-sulfonic acid
CID 101315717
1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 88626083
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole?
The IUPAC name of 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole (CID 153429512) is 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole.
What is the SMILES notation for 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole?
The canonical SMILES for 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole is C=COCCCCOc1ccc(CCCCCCOc2ccc(-c3ccc(-c4ccc5c(c4)[Si](CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(-c7ccc(OCCCCCCCC)cc7)cc6)ccc4-5)cc3)cc2)cc1CCCc1cc(CCCCCCOc2ccc(-c3ccc(-c4ccc5c(c4)[Si](CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(-c7ccc(OCCCCCCCC)cc7)cc6)ccc4-5)cc3)cc2)ccc1OCCCCOC=C.
What is the InChIKey of 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole?
The InChIKey is XYHWOWCEYBUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C159H204O8Si2/c1-9-17-23-29-37-47-110-162-146-94-82-132(83-95-146)128-66-74-136(75-67-128)140-90-102-150-152-104-92-142(124-158(152)168(156(150)122-140,116-55-41-31-25-19-11-3)117-56-42-32-26-20-12-4)138-78-70-130(71-79-138)134-86-98-148(99-87-134)164-112-49-39-35-45-60-126-64-106-154(166-114-53-51-108-160-15-7)144(120-126)62-59-63-145-121-127(65-107-155(145)167-115-54-52-109-161-16-8)61-46-36-40-50-113-165-149-100-88-135(89-101-149)131-72-80-139(81-73-131)143-93-105-153-151-103-91-141(137-76-68-129(69-77-137)133-84-96-147(97-85-133)163-111-48-38-30-24-18-10-2)123-157(151)169(159(153)125-143,118-57-43-33-27-21-13-5)119-58-44-34-28-22-14-6/h15-16,64-107,120-125H,7-14,17-63,108-119H2,1-6H3.
What are the key properties of 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole?
3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole has a molecular weight of 2299.54 g/mol, XLogP of 44.21, 86 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole is sourced from PubChem (CID 153429512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).