bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate

C166H282N2O67 — CID 58473652

IUPACbis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1cc(/C=C/c2cc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(/C=C/c3cc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(CCc4ccc(OCCCCN)cc4)cc3C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc2OC)c(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1/C=C/c1ccc(OCCCCN)cc1
InChIInChI=1S/C166H282N2O67/c1-173-31-36-179-41-46-184-51-56-189-61-66-194-71-76-199-81-86-204-91-96-209-101-106-214-111-116-219-121-126-224-131-136-231-162-146-153(21-19-151-143-157(163(169)232-137-132-225-127-122-220-117-112-215-107-102-210-97-92-205-87-82-200-77-72-195-67-62-190-57-52-185-47-42-180-37-32-174-2)149(17-11-147-13-23-155(24-14-147)229-29-9-7-27-167)141-159(151)165(171)234-139-134-227-129-124-222-119-114-217-109-104-212-99-94-207-89-84-202-79-74-197-69-64-192-59-54-187-49-44-182-39-34-176-4)161(178-6)145-154(162)22-20-152-144-158(164(170)233-138-133-226-128-123-221-118-113-216-108-103-211-98-93-206-88-83-201-78-73-196-68-63-191-58-53-186-48-43-181-38-33-175-3)150(18-12-148-15-25-156(26-16-148)230-30-10-8-28-168)142-160(152)166(172)235-140-135-228-130-125-223-120-115-218-110-105-213-100-95-208-90-85-203-80-75-198-70-65-193-60-55-188-50-45-183-40-35-177-5/h11,13-17,19-26,141-146H,7-10,12,18,27-140,167-168H2,1-6H3/b17-11+,21-19+,22-20+
InChIKeyUPXACNXMEALTCZ-XVFQVXGHSA-N
MW3378.03 g/mol
LogP10.30
Rot. Bonds190

About bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate

bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate (PubChem CID 58473652) has the molecular formula C166H282N2O67 and a molecular weight of 3378.03 g/mol. Its IUPAC name is bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate
PubChem CID58473652
Molecular FormulaC166H282N2O67
Molecular Weight3378.03 g/mol
Exact Mass3375.87
IUPAC Namebis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1cc(/C=C/c2cc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(/C=C/c3cc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(CCc4ccc(OCCCCN)cc4)cc3C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc2OC)c(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1/C=C/c1ccc(OCCCCN)cc1
InChIInChI=1S/C166H282N2O67/c1-173-31-36-179-41-46-184-51-56-189-61-66-194-71-76-199-81-86-204-91-96-209-101-106-214-111-116-219-121-126-224-131-136-231-162-146-153(21-19-151-143-157(163(169)232-137-132-225-127-122-220-117-112-215-107-102-210-97-92-205-87-82-200-77-72-195-67-62-190-57-52-185-47-42-180-37-32-174-2)149(17-11-147-13-23-155(24-14-147)229-29-9-7-27-167)141-159(151)165(171)234-139-134-227-129-124-222-119-114-217-109-104-212-99-94-207-89-84-202-79-74-197-69-64-192-59-54-187-49-44-182-39-34-176-4)161(178-6)145-154(162)22-20-152-144-158(164(170)233-138-133-226-128-123-221-118-113-216-108-103-211-98-93-206-88-83-201-78-73-196-68-63-191-58-53-186-48-43-181-38-33-175-3)150(18-12-148-15-25-156(26-16-148)230-30-10-8-28-168)142-160(152)166(172)235-140-135-228-130-125-223-120-115-218-110-105-213-100-95-208-90-85-203-80-75-198-70-65-193-60-55-188-50-45-183-40-35-177-5/h11,13-17,19-26,141-146H,7-10,12,18,27-140,167-168H2,1-6H3/b17-11+,21-19+,22-20+
InChIKeyUPXACNXMEALTCZ-XVFQVXGHSA-N
XLogP10.30
TPSA701.81 Ų
H-Bond Donors2
H-Bond Acceptors69
Rotatable Bonds190
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003378.03
LogP ≤ 510.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

Nir-628
CID 10509309
2-(2-Methylprop-2-enoyloxy)ethyl 4-[2-ethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate
CID 118856988
[4-[6-(6-Prop-2-enoyloxyhexoxy)naphthalene-2-carbonyl]oxy-3-(trifluoromethyl)phenyl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate
CID 58141863
[3-Fluoro-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carbonyl]oxyphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate
CID 58141910
[3-(4-Fluorophenyl)-4-[6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carbonyl]oxyphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate
CID 59582785
[3-Fluoro-4-[6-(2-prop-2-enoyloxyethoxy)naphthalene-2-carbonyl]oxyphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate
CID 89912548
[1,5-Dimethanimidoyl-6-[4-[4-[2-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-2-yl] 4-[4-[4-(prop-2-enoxymethyl)cyclohexyl]phenyl]benzoate
CID 134235671
but-1-ene;[4-[[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]methoxy]-3-(trifluoromethyl)phenyl] 6-[(1E,3E,5E)-6-prop-2-enoyloxyhexa-1,3,5-trienoxy]naphthalene-2-carboxylate
CID 143714425
Bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 157110503
(4-Acetyloxyphenyl) acetate;bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;bis(1,2-xylene)
CID 157702486
1-[4-[4-Ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;[4-(4-prop-2-enoylbenzoyl)oxy-2,3-bis(trifluoromethyl)phenyl] 4-prop-2-enoylbenzoate
CID 158631414
(3-Benzoyloxy-2,2-difluoropropyl)azanide;(3-benzoyloxy-2,2,4,4,4-pentafluorobutyl)azanide;[3-(4-tert-butylphenoxy)-2,2-difluoro-3-oxopropyl]azanide;[2,2-difluoro-3-(4-methylphenoxy)-3-oxopropyl]azanide;(2,2-difluoro-3-naphthalen-1-yloxy-3-oxopropyl)azanide;(2,2-difluoro-3-naphthalen-2-yloxy-3-oxopropyl)azanide;(2,2-difluoro-3-oxo-3-phenoxypropyl)azanide;[2,2,4,4,4-pentafluoro-3-(naphthalene-1-carbonyloxy)butyl]azanide;[2,2,4,4,4-pentafluoro-3-(naphthalene-2-carbonyloxy)butyl]azanide
CID 160437126

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate?
The IUPAC name of bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate (CID 58473652) is bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate?
The canonical SMILES for bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1cc(/C=C/c2cc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(/C=C/c3cc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(CCc4ccc(OCCCCN)cc4)cc3C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc2OC)c(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1/C=C/c1ccc(OCCCCN)cc1.
What is the InChIKey of bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate?
The InChIKey is UPXACNXMEALTCZ-XVFQVXGHSA-N. The full InChI is InChI=1S/C166H282N2O67/c1-173-31-36-179-41-46-184-51-56-189-61-66-194-71-76-199-81-86-204-91-96-209-101-106-214-111-116-219-121-126-224-131-136-231-162-146-153(21-19-151-143-157(163(169)232-137-132-225-127-122-220-117-112-215-107-102-210-97-92-205-87-82-200-77-72-195-67-62-190-57-52-185-47-42-180-37-32-174-2)149(17-11-147-13-23-155(24-14-147)229-29-9-7-27-167)141-159(151)165(171)234-139-134-227-129-124-222-119-114-217-109-104-212-99-94-207-89-84-202-79-74-197-69-64-192-59-54-187-49-44-182-39-34-176-4)161(178-6)145-154(162)22-20-152-144-158(164(170)233-138-133-226-128-123-221-118-113-216-108-103-211-98-93-206-88-83-201-78-73-196-68-63-191-58-53-186-48-43-181-38-33-175-3)150(18-12-148-15-25-156(26-16-148)230-30-10-8-28-168)142-160(152)166(172)235-140-135-228-130-125-223-120-115-218-110-105-213-100-95-208-90-85-203-80-75-198-70-65-193-60-55-188-50-45-183-40-35-177-5/h11,13-17,19-26,141-146H,7-10,12,18,27-140,167-168H2,1-6H3/b17-11+,21-19+,22-20+.
What are the key properties of bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate?
bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate has a molecular weight of 3378.03 g/mol, XLogP of 10.30, 190 rotatable bonds, 2 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-5-[2-[4-(4-aminobutoxy)phenyl]ethyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 58473652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).