1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene

C217H188O30 — CID 102395902

IUPAC1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
SMILESCc1cc(OCc2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)c2)cc(OCc2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)c2)c1
InChIInChI=1S/C217H188O30/c1-157-82-188(234-143-174-100-206(244-153-184-104-210(236-145-176-84-190(218-127-158-50-18-2-19-51-158)113-191(85-176)219-128-159-52-20-3-21-53-159)123-211(105-184)237-146-177-86-192(220-129-160-54-22-4-23-55-160)114-193(87-177)221-130-161-56-24-5-25-57-161)121-207(101-174)245-154-185-106-212(238-147-178-88-194(222-131-162-58-26-6-27-59-162)115-195(89-178)223-132-163-60-28-7-29-61-163)124-213(107-185)239-148-179-90-196(224-133-164-62-30-8-31-63-164)116-197(91-179)225-134-165-64-32-9-33-65-165)112-189(83-157)235-144-175-102-208(246-155-186-108-214(240-149-180-92-198(226-135-166-66-34-10-35-67-166)117-199(93-180)227-136-167-68-36-11-37-69-167)125-215(109-186)241-150-181-94-200(228-137-168-70-38-12-39-71-168)118-201(95-181)229-138-169-72-40-13-41-73-169)122-209(103-175)247-156-187-110-216(242-151-182-96-202(230-139-170-74-42-14-43-75-170)119-203(97-182)231-140-171-76-44-15-45-77-171)126-217(111-187)243-152-183-98-204(232-141-172-78-46-16-47-79-172)120-205(99-183)233-142-173-80-48-17-49-81-173/h2-126H,127-156H2,1H3
InChIKeyGMSPNHOFFIZFHF-UHFFFAOYSA-N
MW3275.86 g/mol
LogP49.37
Rot. Bonds90

About 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene (PubChem CID 102395902) has the molecular formula C217H188O30 and a molecular weight of 3275.86 g/mol. Its IUPAC name is 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene.

Molecular Properties

Compound Name1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
PubChem CID102395902
Molecular FormulaC217H188O30
Molecular Weight3275.86 g/mol
Exact Mass3273.32
IUPAC Name1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
SMILESCc1cc(OCc2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)c2)cc(OCc2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)c2)c1
InChIInChI=1S/C217H188O30/c1-157-82-188(234-143-174-100-206(244-153-184-104-210(236-145-176-84-190(218-127-158-50-18-2-19-51-158)113-191(85-176)219-128-159-52-20-3-21-53-159)123-211(105-184)237-146-177-86-192(220-129-160-54-22-4-23-55-160)114-193(87-177)221-130-161-56-24-5-25-57-161)121-207(101-174)245-154-185-106-212(238-147-178-88-194(222-131-162-58-26-6-27-59-162)115-195(89-178)223-132-163-60-28-7-29-61-163)124-213(107-185)239-148-179-90-196(224-133-164-62-30-8-31-63-164)116-197(91-179)225-134-165-64-32-9-33-65-165)112-189(83-157)235-144-175-102-208(246-155-186-108-214(240-149-180-92-198(226-135-166-66-34-10-35-67-166)117-199(93-180)227-136-167-68-36-11-37-69-167)125-215(109-186)241-150-181-94-200(228-137-168-70-38-12-39-71-168)118-201(95-181)229-138-169-72-40-13-41-73-169)122-209(103-175)247-156-187-110-216(242-151-182-96-202(230-139-170-74-42-14-43-75-170)119-203(97-182)231-140-171-76-44-15-45-77-171)126-217(111-187)243-152-183-98-204(232-141-172-78-46-16-47-79-172)120-205(99-183)233-142-173-80-48-17-49-81-173/h2-126H,127-156H2,1H3
InChIKeyGMSPNHOFFIZFHF-UHFFFAOYSA-N
XLogP49.37
TPSA276.90 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds90
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003275.86
LogP ≤ 549.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene with MolForge

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Related Compounds

1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
CID 158286848
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene?
The IUPAC name of 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene (CID 102395902) is 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene.
What is the SMILES notation for 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene?
The canonical SMILES for 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene is Cc1cc(OCc2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)c2)cc(OCc2cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)c2)c1.
What is the InChIKey of 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene?
The InChIKey is GMSPNHOFFIZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C217H188O30/c1-157-82-188(234-143-174-100-206(244-153-184-104-210(236-145-176-84-190(218-127-158-50-18-2-19-51-158)113-191(85-176)219-128-159-52-20-3-21-53-159)123-211(105-184)237-146-177-86-192(220-129-160-54-22-4-23-55-160)114-193(87-177)221-130-161-56-24-5-25-57-161)121-207(101-174)245-154-185-106-212(238-147-178-88-194(222-131-162-58-26-6-27-59-162)115-195(89-178)223-132-163-60-28-7-29-61-163)124-213(107-185)239-148-179-90-196(224-133-164-62-30-8-31-63-164)116-197(91-179)225-134-165-64-32-9-33-65-165)112-189(83-157)235-144-175-102-208(246-155-186-108-214(240-149-180-92-198(226-135-166-66-34-10-35-67-166)117-199(93-180)227-136-167-68-36-11-37-69-167)125-215(109-186)241-150-181-94-200(228-137-168-70-38-12-39-71-168)118-201(95-181)229-138-169-72-40-13-41-73-169)122-209(103-175)247-156-187-110-216(242-151-182-96-202(230-139-170-74-42-14-43-75-170)119-203(97-182)231-140-171-76-44-15-45-77-171)126-217(111-187)243-152-183-98-204(232-141-172-78-46-16-47-79-172)120-205(99-183)233-142-173-80-48-17-49-81-173/h2-126H,127-156H2,1H3.
What are the key properties of 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene?
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene has a molecular weight of 3275.86 g/mol, XLogP of 49.37, 90 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene is sourced from PubChem (CID 102395902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).