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

C211H183BrO29 — CID 58661558

IUPAC1-[[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
SMILESCc1cc(COc2cc(COc3cc(COc4cc(CBr)cc(OCc5cc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)cc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(OCc2ccccc2)c1
InChIInChI=1S/C211H183BrO29/c1-152-77-169(81-183(78-152)213-123-153-47-17-2-18-48-153)138-228-200-96-179(101-201(116-200)231-141-170-82-186(214-124-154-49-19-3-20-50-154)109-187(83-170)215-125-155-51-21-4-22-52-155)148-238-202-97-177(98-203(117-202)239-149-180-102-206(232-142-171-84-188(216-126-156-53-23-5-24-54-156)110-189(85-171)217-127-157-55-25-6-26-56-157)119-207(103-180)233-143-172-86-190(218-128-158-57-27-7-28-58-158)111-191(87-172)219-129-159-59-29-8-30-60-159)139-229-184-79-168(122-212)80-185(108-184)230-140-178-99-204(240-150-181-104-208(234-144-173-88-192(220-130-160-61-31-9-32-62-160)112-193(89-173)221-131-161-63-33-10-34-64-161)120-209(105-181)235-145-174-90-194(222-132-162-65-35-11-36-66-162)113-195(91-174)223-133-163-67-37-12-38-68-163)118-205(100-178)241-151-182-106-210(236-146-175-92-196(224-134-164-69-39-13-40-70-164)114-197(93-175)225-135-165-71-41-14-42-72-165)121-211(107-182)237-147-176-94-198(226-136-166-73-43-15-44-74-166)115-199(95-176)227-137-167-75-45-16-46-76-167/h2-121H,122-151H2,1H3
InChIKeyYRPBVTNCPRBVOF-UHFFFAOYSA-N
MW3262.66 g/mol
LogP48.68
Rot. Bonds88

About 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

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 (PubChem CID 58661558) has the molecular formula C211H183BrO29 and a molecular weight of 3262.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID58661558
Molecular FormulaC211H183BrO29
Molecular Weight3262.66 g/mol
Exact Mass3259.20
IUPAC Name1-[[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
SMILESCc1cc(COc2cc(COc3cc(COc4cc(CBr)cc(OCc5cc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)cc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(OCc2ccccc2)c1
InChIInChI=1S/C211H183BrO29/c1-152-77-169(81-183(78-152)213-123-153-47-17-2-18-48-153)138-228-200-96-179(101-201(116-200)231-141-170-82-186(214-124-154-49-19-3-20-50-154)109-187(83-170)215-125-155-51-21-4-22-52-155)148-238-202-97-177(98-203(117-202)239-149-180-102-206(232-142-171-84-188(216-126-156-53-23-5-24-54-156)110-189(85-171)217-127-157-55-25-6-26-56-157)119-207(103-180)233-143-172-86-190(218-128-158-57-27-7-28-58-158)111-191(87-172)219-129-159-59-29-8-30-60-159)139-229-184-79-168(122-212)80-185(108-184)230-140-178-99-204(240-150-181-104-208(234-144-173-88-192(220-130-160-61-31-9-32-62-160)112-193(89-173)221-131-161-63-33-10-34-64-161)120-209(105-181)235-145-174-90-194(222-132-162-65-35-11-36-66-162)113-195(91-174)223-133-163-67-37-12-38-68-163)118-205(100-178)241-151-182-106-210(236-146-175-92-196(224-134-164-69-39-13-40-70-164)114-197(93-175)225-135-165-71-41-14-42-72-165)121-211(107-182)237-147-176-94-198(226-136-166-73-43-15-44-74-166)115-199(95-176)227-137-167-75-45-16-46-76-167/h2-121H,122-151H2,1H3
InChIKeyYRPBVTNCPRBVOF-UHFFFAOYSA-N
XLogP48.68
TPSA267.67 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds88
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003262.66
LogP ≤ 548.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1-(bromomethyl)-3-decoxy-5-phenylmethoxybenzene
CID 101207544
1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
CID 158286848
4-[[3-(bromomethyl)-5-phenylmethoxyphenoxy]methyl]benzonitrile
CID 19995075
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
1-(bromomethyl)-3-(methoxymethoxy)-5-methylbenzene
CID 53359201
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(COc2cc(COc3cc(COc4cc(CBr)cc(OCc5cc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)cc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(OCc2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is YRPBVTNCPRBVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C211H183BrO29/c1-152-77-169(81-183(78-152)213-123-153-47-17-2-18-48-153)138-228-200-96-179(101-201(116-200)231-141-170-82-186(214-124-154-49-19-3-20-50-154)109-187(83-170)215-125-155-51-21-4-22-52-155)148-238-202-97-177(98-203(117-202)239-149-180-102-206(232-142-171-84-188(216-126-156-53-23-5-24-54-156)110-189(85-171)217-127-157-55-25-6-26-56-157)119-207(103-180)233-143-172-86-190(218-128-158-57-27-7-28-58-158)111-191(87-172)219-129-159-59-29-8-30-60-159)139-229-184-79-168(122-212)80-185(108-184)230-140-178-99-204(240-150-181-104-208(234-144-173-88-192(220-130-160-61-31-9-32-62-160)112-193(89-173)221-131-161-63-33-10-34-64-161)120-209(105-181)235-145-174-90-194(222-132-162-65-35-11-36-66-162)113-195(91-174)223-133-163-67-37-12-38-68-163)118-205(100-178)241-151-182-106-210(236-146-175-92-196(224-134-164-69-39-13-40-70-164)114-197(93-175)225-135-165-71-41-14-42-72-165)121-211(107-182)237-147-176-94-198(226-136-166-73-43-15-44-74-166)115-199(95-176)227-137-167-75-45-16-46-76-167/h2-121H,122-151H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 3262.66 g/mol, XLogP of 48.68, 88 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58661558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).