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

C134H182O8 — CID 101056714

IUPAC1-[(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
SMILESCCCCCCCCOc1cc(/C=C/c2ccc(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4ccc(/C=C/c5cc(OCCCCCCCC)c(/C=C/c6ccc(/C=C/c7cc(OCCCCCCCC)c(/C=C/c8ccccc8)cc7OCCCCCCCC)cc6)cc5OCCCCCCCC)cc4)cc3OCCCCCCCC)cc2)c(OCCCCCCCC)cc1/C=C/c1ccccc1
InChIInChI=1S/C134H182O8/c1-9-17-25-33-41-55-95-135-127-105-121(129(137-97-57-43-35-27-19-11-3)103-119(127)87-79-111-63-51-49-52-64-111)89-81-113-67-71-115(72-68-113)83-91-123-107-133(141-101-61-47-39-31-23-15-7)125(109-131(123)139-99-59-45-37-29-21-13-5)93-85-117-75-77-118(78-76-117)86-94-126-110-132(140-100-60-46-38-30-22-14-6)124(108-134(126)142-102-62-48-40-32-24-16-8)92-84-116-73-69-114(70-74-116)82-90-122-106-128(136-96-56-42-34-26-18-10-2)120(88-80-112-65-53-50-54-66-112)104-130(122)138-98-58-44-36-28-20-12-4/h49-54,63-94,103-110H,9-48,55-62,95-102H2,1-8H3/b87-79+,88-80+,89-81+,90-82+,91-83+,92-84+,93-85+,94-86+
InChIKeyUWWJZWYFNVXOOQ-IDYLLJHOSA-N
MW1920.92 g/mol
LogP40.96
Rot. Bonds80

About 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

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 (PubChem CID 101056714) has the molecular formula C134H182O8 and a molecular weight of 1920.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID101056714
Molecular FormulaC134H182O8
Molecular Weight1920.92 g/mol
Exact Mass1919.38
IUPAC Name1-[(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
SMILESCCCCCCCCOc1cc(/C=C/c2ccc(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4ccc(/C=C/c5cc(OCCCCCCCC)c(/C=C/c6ccc(/C=C/c7cc(OCCCCCCCC)c(/C=C/c8ccccc8)cc7OCCCCCCCC)cc6)cc5OCCCCCCCC)cc4)cc3OCCCCCCCC)cc2)c(OCCCCCCCC)cc1/C=C/c1ccccc1
InChIInChI=1S/C134H182O8/c1-9-17-25-33-41-55-95-135-127-105-121(129(137-97-57-43-35-27-19-11-3)103-119(127)87-79-111-63-51-49-52-64-111)89-81-113-67-71-115(72-68-113)83-91-123-107-133(141-101-61-47-39-31-23-15-7)125(109-131(123)139-99-59-45-37-29-21-13-5)93-85-117-75-77-118(78-76-117)86-94-126-110-132(140-100-60-46-38-30-22-14-6)124(108-134(126)142-102-62-48-40-32-24-16-8)92-84-116-73-69-114(70-74-116)82-90-122-106-128(136-96-56-42-34-26-18-10-2)120(88-80-112-65-53-50-54-66-112)104-130(122)138-98-58-44-36-28-20-12-4/h49-54,63-94,103-110H,9-48,55-62,95-102H2,1-8H3/b87-79+,88-80+,89-81+,90-82+,91-83+,92-84+,93-85+,94-86+
InChIKeyUWWJZWYFNVXOOQ-IDYLLJHOSA-N
XLogP40.96
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds80
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001920.92
LogP ≤ 540.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-formylphenyl)ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]benzaldehyde
CID 102237302
[(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane
CID 100999682
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
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
4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hexadecoxy-5-methoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 102389552
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
CID 102312295
4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-hexoxyphenyl)ethenyl]phenyl]ethenyl]-1-hexoxybenzene
CID 102415017
1-methoxy-2-methyl-4-(3-phenylpropoxy)-5-[2-(4-prop-1-enylphenyl)ethenyl]benzene;1-methyl-2,5-dioctoxy-4-[2-(4-prop-1-enylphenyl)ethenyl]benzene
CID 90835479
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCOc1cc(/C=C/c2ccc(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4ccc(/C=C/c5cc(OCCCCCCCC)c(/C=C/c6ccc(/C=C/c7cc(OCCCCCCCC)c(/C=C/c8ccccc8)cc7OCCCCCCCC)cc6)cc5OCCCCCCCC)cc4)cc3OCCCCCCCC)cc2)c(OCCCCCCCC)cc1/C=C/c1ccccc1.
What is the InChIKey of 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?
The InChIKey is UWWJZWYFNVXOOQ-IDYLLJHOSA-N. The full InChI is InChI=1S/C134H182O8/c1-9-17-25-33-41-55-95-135-127-105-121(129(137-97-57-43-35-27-19-11-3)103-119(127)87-79-111-63-51-49-52-64-111)89-81-113-67-71-115(72-68-113)83-91-123-107-133(141-101-61-47-39-31-23-15-7)125(109-131(123)139-99-59-45-37-29-21-13-5)93-85-117-75-77-118(78-76-117)86-94-126-110-132(140-100-60-46-38-30-22-14-6)124(108-134(126)142-102-62-48-40-32-24-16-8)92-84-116-73-69-114(70-74-116)82-90-122-106-128(136-96-56-42-34-26-18-10-2)120(88-80-112-65-53-50-54-66-112)104-130(122)138-98-58-44-36-28-20-12-4/h49-54,63-94,103-110H,9-48,55-62,95-102H2,1-8H3/b87-79+,88-80+,89-81+,90-82+,91-83+,92-84+,93-85+,94-86+.
What are the key properties of 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?
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 has a molecular weight of 1920.92 g/mol, XLogP of 40.96, 80 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101056714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).