[4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol

C121H160O18 — CID 102395884

IUPAC[4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol
SMILESCCCCCCCCCCCCOc1cc(/C=C/c2ccc(COCc3cc(OCc4cc(OCc5cc(OCCC)cc(OCCC)c5)cc(OCc5cc(OCCC)cc(OCCC)c5)c4)cc(OCc4cc(OCc5cc(OCCC)cc(OCCC)c5)cc(OCc5cc(OCCC)cc(OCCC)c5)c4)c3)cc2)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc(CO)cc1
InChIInChI=1S/C121H160O18/c1-11-21-23-25-27-29-31-33-35-37-59-132-120-76-105(121(133-60-38-36-34-32-30-28-26-24-22-12-2)75-104(120)49-47-93-39-43-95(84-122)44-40-93)50-48-94-41-45-96(46-42-94)85-123-86-97-61-114(134-91-102-71-116(136-87-98-63-106(124-51-13-3)77-107(64-98)125-52-14-4)82-117(72-102)137-88-99-65-108(126-53-15-5)78-109(66-99)127-54-16-6)81-115(62-97)135-92-103-73-118(138-89-100-67-110(128-55-17-7)79-111(68-100)129-56-18-8)83-119(74-103)139-90-101-69-112(130-57-19-9)80-113(70-101)131-58-20-10/h39-50,61-83,122H,11-38,51-60,84-92H2,1-10H3/b49-47+,50-48+
InChIKeySYBNCOSXLIQLEX-RYZURTRPSA-N
MW1902.59 g/mol
LogP31.62
Rot. Bonds75

About [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol

[4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol (PubChem CID 102395884) has the molecular formula C121H160O18 and a molecular weight of 1902.59 g/mol. Its IUPAC name is [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol
PubChem CID102395884
Molecular FormulaC121H160O18
Molecular Weight1902.59 g/mol
Exact Mass1901.16
IUPAC Name[4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol
SMILESCCCCCCCCCCCCOc1cc(/C=C/c2ccc(COCc3cc(OCc4cc(OCc5cc(OCCC)cc(OCCC)c5)cc(OCc5cc(OCCC)cc(OCCC)c5)c4)cc(OCc4cc(OCc5cc(OCCC)cc(OCCC)c5)cc(OCc5cc(OCCC)cc(OCCC)c5)c4)c3)cc2)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc(CO)cc1
InChIInChI=1S/C121H160O18/c1-11-21-23-25-27-29-31-33-35-37-59-132-120-76-105(121(133-60-38-36-34-32-30-28-26-24-22-12-2)75-104(120)49-47-93-39-43-95(84-122)44-40-93)50-48-94-41-45-96(46-42-94)85-123-86-97-61-114(134-91-102-71-116(136-87-98-63-106(124-51-13-3)77-107(64-98)125-52-14-4)82-117(72-102)137-88-99-65-108(126-53-15-5)78-109(66-99)127-54-16-6)81-115(62-97)135-92-103-73-118(138-89-100-67-110(128-55-17-7)79-111(68-100)129-56-18-8)83-119(74-103)139-90-101-69-112(130-57-19-9)80-113(70-101)131-58-20-10/h39-50,61-83,122H,11-38,51-60,84-92H2,1-10H3/b49-47+,50-48+
InChIKeySYBNCOSXLIQLEX-RYZURTRPSA-N
XLogP31.62
TPSA177.14 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds75
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001902.59
LogP ≤ 531.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol with MolForge

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Related Compounds

1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
4-[(E)-2-[4-[(E)-2-(4-formylphenyl)ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]benzaldehyde
CID 102237302
[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]methanol
CID 10963487
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine
CID 177480609
(3,5-dipentoxyphenyl)methanol
CID 121005447
[6-[[3-(4-octadecoxybutyl)-5-(3-octadecoxypropoxy)phenyl]methoxy]naphthalen-2-yl]methanol
CID 164850261
[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
CID 67507886
N-[4-[(E)-2-[2,5-dihexoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 101129124
[5-[(E)-2-[4-[(4-hexoxyphenyl)diazenyl]phenyl]ethenyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[(E)-2-[4-[(4-methylphenyl)diazenyl]phenyl]ethenyl]phenyl]methanol
CID 88577881
1,4-dioctoxy-2-[(E)-2-phenylethenyl]-5-[(E)-2-[4-[(E)-2-[4-[tris[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 102014093
4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hexadecoxy-5-methoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 102389552
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol?
The IUPAC name of [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol (CID 102395884) is [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol.
What is the SMILES notation for [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol?
The canonical SMILES for [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol is CCCCCCCCCCCCOc1cc(/C=C/c2ccc(COCc3cc(OCc4cc(OCc5cc(OCCC)cc(OCCC)c5)cc(OCc5cc(OCCC)cc(OCCC)c5)c4)cc(OCc4cc(OCc5cc(OCCC)cc(OCCC)c5)cc(OCc5cc(OCCC)cc(OCCC)c5)c4)c3)cc2)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc(CO)cc1.
What is the InChIKey of [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol?
The InChIKey is SYBNCOSXLIQLEX-RYZURTRPSA-N. The full InChI is InChI=1S/C121H160O18/c1-11-21-23-25-27-29-31-33-35-37-59-132-120-76-105(121(133-60-38-36-34-32-30-28-26-24-22-12-2)75-104(120)49-47-93-39-43-95(84-122)44-40-93)50-48-94-41-45-96(46-42-94)85-123-86-97-61-114(134-91-102-71-116(136-87-98-63-106(124-51-13-3)77-107(64-98)125-52-14-4)82-117(72-102)137-88-99-65-108(126-53-15-5)78-109(66-99)127-54-16-6)81-115(62-97)135-92-103-73-118(138-89-100-67-110(128-55-17-7)79-111(68-100)129-56-18-8)83-119(74-103)139-90-101-69-112(130-57-19-9)80-113(70-101)131-58-20-10/h39-50,61-83,122H,11-38,51-60,84-92H2,1-10H3/b49-47+,50-48+.
What are the key properties of [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol?
[4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol has a molecular weight of 1902.59 g/mol, XLogP of 31.62, 75 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[4-[(E)-2-[4-[[3,5-bis[[3,5-bis[(3,5-dipropoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxymethyl]phenyl]ethenyl]-2,5-didodecoxyphenyl]ethenyl]phenyl]methanol is sourced from PubChem (CID 102395884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).