1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene

C205H204O36 — CID 101332867

IUPAC1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene
SMILESC=Cc1ccc(COc2ccc(OCCOCCOc3cc(COc4ccc(C(c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)(c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)cc4)cc(OCCOCCOc4ccc(OCc5ccc(C=C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C205H204O36/c1-9-153-17-33-161(34-18-153)141-230-189-81-65-177(66-82-189)214-113-97-206-105-121-222-197-129-169(130-198(137-197)223-122-106-207-98-114-215-178-67-83-190(84-68-178)231-142-162-35-19-154(10-2)20-36-162)149-238-185-57-49-173(50-58-185)205(174-51-59-186(60-52-174)239-150-170-131-199(224-123-107-208-99-115-216-179-69-85-191(86-70-179)232-143-163-37-21-155(11-3)22-38-163)138-200(132-170)225-124-108-209-100-116-217-180-71-87-192(88-72-180)233-144-164-39-23-156(12-4)24-40-164,175-53-61-187(62-54-175)240-151-171-133-201(226-125-109-210-101-117-218-181-73-89-193(90-74-181)234-145-165-41-25-157(13-5)26-42-165)139-202(134-171)227-126-110-211-102-118-219-182-75-91-194(92-76-182)235-146-166-43-27-158(14-6)28-44-166)176-55-63-188(64-56-176)241-152-172-135-203(228-127-111-212-103-119-220-183-77-93-195(94-78-183)236-147-167-45-29-159(15-7)30-46-167)140-204(136-172)229-128-112-213-104-120-221-184-79-95-196(96-80-184)237-148-168-47-31-160(16-8)32-48-168/h9-96,129-140H,1-8,97-128,141-152H2
InChIKeyBDTDSDYRKVTISP-UHFFFAOYSA-N
MW3243.85 g/mol
LogP41.96
Rot. Bonds112

About 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene

1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene (PubChem CID 101332867) has the molecular formula C205H204O36 and a molecular weight of 3243.85 g/mol. Its IUPAC name is 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene
PubChem CID101332867
Molecular FormulaC205H204O36
Molecular Weight3243.85 g/mol
Exact Mass3241.41
IUPAC Name1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene
SMILESC=Cc1ccc(COc2ccc(OCCOCCOc3cc(COc4ccc(C(c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)(c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)cc4)cc(OCCOCCOc4ccc(OCc5ccc(C=C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C205H204O36/c1-9-153-17-33-161(34-18-153)141-230-189-81-65-177(66-82-189)214-113-97-206-105-121-222-197-129-169(130-198(137-197)223-122-106-207-98-114-215-178-67-83-190(84-68-178)231-142-162-35-19-154(10-2)20-36-162)149-238-185-57-49-173(50-58-185)205(174-51-59-186(60-52-174)239-150-170-131-199(224-123-107-208-99-115-216-179-69-85-191(86-70-179)232-143-163-37-21-155(11-3)22-38-163)138-200(132-170)225-124-108-209-100-116-217-180-71-87-192(88-72-180)233-144-164-39-23-156(12-4)24-40-164,175-53-61-187(62-54-175)240-151-171-133-201(226-125-109-210-101-117-218-181-73-89-193(90-74-181)234-145-165-41-25-157(13-5)26-42-165)139-202(134-171)227-126-110-211-102-118-219-182-75-91-194(92-76-182)235-146-166-43-27-158(14-6)28-44-166)176-55-63-188(64-56-176)241-152-172-135-203(228-127-111-212-103-119-220-183-77-93-195(94-78-183)236-147-167-45-29-159(15-7)30-46-167)140-204(136-172)229-128-112-213-104-120-221-184-79-95-196(96-80-184)237-148-168-47-31-160(16-8)32-48-168/h9-96,129-140H,1-8,97-128,141-152H2
InChIKeyBDTDSDYRKVTISP-UHFFFAOYSA-N
XLogP41.96
TPSA332.28 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds112
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003243.85
LogP ≤ 541.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene?
The IUPAC name of 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene (CID 101332867) is 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene?
The canonical SMILES for 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene is C=Cc1ccc(COc2ccc(OCCOCCOc3cc(COc4ccc(C(c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)(c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)c5ccc(OCc6cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)cc(OCCOCCOc7ccc(OCc8ccc(C=C)cc8)cc7)c6)cc5)cc4)cc(OCCOCCOc4ccc(OCc5ccc(C=C)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene?
The InChIKey is BDTDSDYRKVTISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C205H204O36/c1-9-153-17-33-161(34-18-153)141-230-189-81-65-177(66-82-189)214-113-97-206-105-121-222-197-129-169(130-198(137-197)223-122-106-207-98-114-215-178-67-83-190(84-68-178)231-142-162-35-19-154(10-2)20-36-162)149-238-185-57-49-173(50-58-185)205(174-51-59-186(60-52-174)239-150-170-131-199(224-123-107-208-99-115-216-179-69-85-191(86-70-179)232-143-163-37-21-155(11-3)22-38-163)138-200(132-170)225-124-108-209-100-116-217-180-71-87-192(88-72-180)233-144-164-39-23-156(12-4)24-40-164,175-53-61-187(62-54-175)240-151-171-133-201(226-125-109-210-101-117-218-181-73-89-193(90-74-181)234-145-165-41-25-157(13-5)26-42-165)139-202(134-171)227-126-110-211-102-118-219-182-75-91-194(92-76-182)235-146-166-43-27-158(14-6)28-44-166)176-55-63-188(64-56-176)241-152-172-135-203(228-127-111-212-103-119-220-183-77-93-195(94-78-183)236-147-167-45-29-159(15-7)30-46-167)140-204(136-172)229-128-112-213-104-120-221-184-79-95-196(96-80-184)237-148-168-47-31-160(16-8)32-48-168/h9-96,129-140H,1-8,97-128,141-152H2.
What are the key properties of 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene?
1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene has a molecular weight of 3243.85 g/mol, XLogP of 41.96, 112 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene is sourced from PubChem (CID 101332867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).