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

C185H220O8 — CID 102014093

IUPAC1,4-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
SMILESCCCCCCCCOc1cc(/C=C/c2ccc(/C=C/c3ccc(C(c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)(c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)cc3)cc2)c(OCCCCCCCC)cc1/C=C/c1ccccc1
InChIInChI=1S/C185H220O8/c1-9-17-25-33-41-61-133-186-177-145-169(181(190-137-65-45-37-29-21-13-5)141-165(177)117-101-149-69-53-49-54-70-149)121-105-157-89-77-153(78-90-157)85-97-161-109-125-173(126-110-161)185(174-127-111-162(112-128-174)98-86-154-79-91-158(92-80-154)106-122-170-146-178(187-134-62-42-34-26-18-10-2)166(118-102-150-71-55-50-56-72-150)142-182(170)191-138-66-46-38-30-22-14-6,175-129-113-163(114-130-175)99-87-155-81-93-159(94-82-155)107-123-171-147-179(188-135-63-43-35-27-19-11-3)167(119-103-151-73-57-51-58-74-151)143-183(171)192-139-67-47-39-31-23-15-7)176-131-115-164(116-132-176)100-88-156-83-95-160(96-84-156)108-124-172-148-180(189-136-64-44-36-28-20-12-4)168(120-104-152-75-59-52-60-76-152)144-184(172)193-140-68-48-40-32-24-16-8/h49-60,69-132,141-148H,9-48,61-68,133-140H2,1-8H3/b97-85+,98-86+,99-87+,100-88+,117-101+,118-102+,119-103+,120-104+,121-105+,122-106+,123-107+,124-108+
InChIKeyVBKNRUFKMVXGTQ-KAHHHUGASA-N
MW2571.79 g/mol
LogP54.03
Rot. Bonds92

About 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

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 (PubChem CID 102014093) has the molecular formula C185H220O8 and a molecular weight of 2571.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID102014093
Molecular FormulaC185H220O8
Molecular Weight2571.79 g/mol
Exact Mass2569.68
IUPAC Name1,4-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
SMILESCCCCCCCCOc1cc(/C=C/c2ccc(/C=C/c3ccc(C(c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)(c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)cc3)cc2)c(OCCCCCCCC)cc1/C=C/c1ccccc1
InChIInChI=1S/C185H220O8/c1-9-17-25-33-41-61-133-186-177-145-169(181(190-137-65-45-37-29-21-13-5)141-165(177)117-101-149-69-53-49-54-70-149)121-105-157-89-77-153(78-90-157)85-97-161-109-125-173(126-110-161)185(174-127-111-162(112-128-174)98-86-154-79-91-158(92-80-154)106-122-170-146-178(187-134-62-42-34-26-18-10-2)166(118-102-150-71-55-50-56-72-150)142-182(170)191-138-66-46-38-30-22-14-6,175-129-113-163(114-130-175)99-87-155-81-93-159(94-82-155)107-123-171-147-179(188-135-63-43-35-27-19-11-3)167(119-103-151-73-57-51-58-74-151)143-183(171)192-139-67-47-39-31-23-15-7)176-131-115-164(116-132-176)100-88-156-83-95-160(96-84-156)108-124-172-148-180(189-136-64-44-36-28-20-12-4)168(120-104-152-75-59-52-60-76-152)144-184(172)193-140-68-48-40-32-24-16-8/h49-60,69-132,141-148H,9-48,61-68,133-140H2,1-8H3/b97-85+,98-86+,99-87+,100-88+,117-101+,118-102+,119-103+,120-104+,121-105+,122-106+,123-107+,124-108+
InChIKeyVBKNRUFKMVXGTQ-KAHHHUGASA-N
XLogP54.03
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds92
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002571.79
LogP ≤ 554.03
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 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 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-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-hexoxyphenyl)ethenyl]phenyl]ethenyl]-1-hexoxybenzene
CID 102415017
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
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
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCOc1cc(/C=C/c2ccc(/C=C/c3ccc(C(c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)(c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)c4ccc(/C=C/c5ccc(/C=C/c6cc(OCCCCCCCC)c(/C=C/c7ccccc7)cc6OCCCCCCCC)cc5)cc4)cc3)cc2)c(OCCCCCCCC)cc1/C=C/c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VBKNRUFKMVXGTQ-KAHHHUGASA-N. The full InChI is InChI=1S/C185H220O8/c1-9-17-25-33-41-61-133-186-177-145-169(181(190-137-65-45-37-29-21-13-5)141-165(177)117-101-149-69-53-49-54-70-149)121-105-157-89-77-153(78-90-157)85-97-161-109-125-173(126-110-161)185(174-127-111-162(112-128-174)98-86-154-79-91-158(92-80-154)106-122-170-146-178(187-134-62-42-34-26-18-10-2)166(118-102-150-71-55-50-56-72-150)142-182(170)191-138-66-46-38-30-22-14-6,175-129-113-163(114-130-175)99-87-155-81-93-159(94-82-155)107-123-171-147-179(188-135-63-43-35-27-19-11-3)167(119-103-151-73-57-51-58-74-151)143-183(171)192-139-67-47-39-31-23-15-7)176-131-115-164(116-132-176)100-88-156-83-95-160(96-84-156)108-124-172-148-180(189-136-64-44-36-28-20-12-4)168(120-104-152-75-59-52-60-76-152)144-184(172)193-140-68-48-40-32-24-16-8/h49-60,69-132,141-148H,9-48,61-68,133-140H2,1-8H3/b97-85+,98-86+,99-87+,100-88+,117-101+,118-102+,119-103+,120-104+,121-105+,122-106+,123-107+,124-108+.
What are the key properties of 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?
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 has a molecular weight of 2571.79 g/mol, XLogP of 54.03, 92 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102014093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).