[6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate

C282H234Br4O40 — CID 159441944

IUPAC[6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate
SMILESCC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5cc(Br)ccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(C)COC7)cc6)cc5)ccc5cc(Br)ccc45)cc3)cc2)COC1.CC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(C)COC7)cc6)cc5)ccc5ccccc45)cc3)cc2)COC1.CCC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5cc(Br)ccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(CC)COC7)cc6)cc5)ccc5cc(Br)ccc45)cc3)cc2)COC1.CCC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(CC)COC7)cc6)cc5)ccc5ccccc45)cc3)cc2)COC1.CCC1(COc2ccc3cc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc6cc(OCC7(CC)COC7)ccc6c5)ccc5ccccc45)ccc3c2)COC1
InChIInChI=1S/C58H48Br2O8.C58H50O8.C56H44Br2O8.C56H46O8.C54H46O8/c1-3-57(31-63-32-57)35-65-47-21-13-39(14-22-47)37-5-9-41(10-6-37)55(61)67-51-27-17-43-29-45(59)19-25-49(43)53(51)54-50-26-20-46(60)30-44(50)18-28-52(54)68-56(62)42-11-7-38(8-12-42)40-15-23-48(24-16-40)66-36-58(4-2)33-64-34-58;1-3-57(33-61-34-57)37-63-47-27-21-41(22-28-47)39-13-17-45(18-14-39)55(59)65-51-31-25-43-9-5-7-11-49(43)53(51)54-50-12-8-6-10-44(50)26-32-52(54)66-56(60)46-19-15-40(16-20-46)42-23-29-48(30-24-42)64-38-58(4-2)35-62-36-58;1-55(29-61-30-55)33-63-45-19-11-37(12-20-45)35-3-7-39(8-4-35)53(59)65-49-25-15-41-27-43(57)17-23-47(41)51(49)52-48-24-18-44(58)28-42(48)16-26-50(52)66-54(60)40-9-5-36(6-10-40)38-13-21-46(22-14-38)64-34-56(2)31-62-32-56;1-55(31-59-32-55)35-61-45-25-19-39(20-26-45)37-11-15-43(16-12-37)53(57)63-49-29-23-41-7-3-5-9-47(41)51(49)52-48-10-6-4-8-42(48)24-30-50(52)64-54(58)44-17-13-38(14-18-44)40-21-27-46(28-22-40)62-36-56(2)33-60-34-56;1-3-53(29-57-30-53)33-59-43-21-17-37-25-41(15-13-39(37)27-43)51(55)61-47-23-19-35-9-5-7-11-45(35)49(47)50-46-12-8-6-10-36(46)20-24-48(50)62-52(56)42-16-14-40-28-44(22-18-38(40)26-42)60-34-54(4-2)31-58-32-54/h5-30H,3-4,31-36H2,1-2H3;5-32H,3-4,33-38H2,1-2H3;3-28H,29-34H2,1-2H3;3-30H,31-36H2,1-2H3;5-28H,3-4,29-34H2,1-2H3
InChIKeyLSGYJNYILDIHEV-UHFFFAOYSA-N
MW4582.55 g/mol
LogP65.68
Rot. Bonds69

About [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate

[6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate (PubChem CID 159441944) has the molecular formula C282H234Br4O40 and a molecular weight of 4582.55 g/mol. Its IUPAC name is [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate.

Molecular Properties

Compound Name[6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate
PubChem CID159441944
Molecular FormulaC282H234Br4O40
Molecular Weight4582.55 g/mol
Exact Mass4575.30
IUPAC Name[6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate
SMILESCC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5cc(Br)ccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(C)COC7)cc6)cc5)ccc5cc(Br)ccc45)cc3)cc2)COC1.CC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(C)COC7)cc6)cc5)ccc5ccccc45)cc3)cc2)COC1.CCC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5cc(Br)ccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(CC)COC7)cc6)cc5)ccc5cc(Br)ccc45)cc3)cc2)COC1.CCC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(CC)COC7)cc6)cc5)ccc5ccccc45)cc3)cc2)COC1.CCC1(COc2ccc3cc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc6cc(OCC7(CC)COC7)ccc6c5)ccc5ccccc45)ccc3c2)COC1
InChIInChI=1S/C58H48Br2O8.C58H50O8.C56H44Br2O8.C56H46O8.C54H46O8/c1-3-57(31-63-32-57)35-65-47-21-13-39(14-22-47)37-5-9-41(10-6-37)55(61)67-51-27-17-43-29-45(59)19-25-49(43)53(51)54-50-26-20-46(60)30-44(50)18-28-52(54)68-56(62)42-11-7-38(8-12-42)40-15-23-48(24-16-40)66-36-58(4-2)33-64-34-58;1-3-57(33-61-34-57)37-63-47-27-21-41(22-28-47)39-13-17-45(18-14-39)55(59)65-51-31-25-43-9-5-7-11-49(43)53(51)54-50-12-8-6-10-44(50)26-32-52(54)66-56(60)46-19-15-40(16-20-46)42-23-29-48(30-24-42)64-38-58(4-2)35-62-36-58;1-55(29-61-30-55)33-63-45-19-11-37(12-20-45)35-3-7-39(8-4-35)53(59)65-49-25-15-41-27-43(57)17-23-47(41)51(49)52-48-24-18-44(58)28-42(48)16-26-50(52)66-54(60)40-9-5-36(6-10-40)38-13-21-46(22-14-38)64-34-56(2)31-62-32-56;1-55(31-59-32-55)35-61-45-25-19-39(20-26-45)37-11-15-43(16-12-37)53(57)63-49-29-23-41-7-3-5-9-47(41)51(49)52-48-10-6-4-8-42(48)24-30-50(52)64-54(58)44-17-13-38(14-18-44)40-21-27-46(28-22-40)62-36-56(2)33-60-34-56;1-3-53(29-57-30-53)33-59-43-21-17-37-25-41(15-13-39(37)27-43)51(55)61-47-23-19-35-9-5-7-11-45(35)49(47)50-46-12-8-6-10-36(46)20-24-48(50)62-52(56)42-16-14-40-28-44(22-18-38(40)26-42)60-34-54(4-2)31-58-32-54/h5-30H,3-4,31-36H2,1-2H3;5-32H,3-4,33-38H2,1-2H3;3-28H,29-34H2,1-2H3;3-30H,31-36H2,1-2H3;5-28H,3-4,29-34H2,1-2H3
InChIKeyLSGYJNYILDIHEV-UHFFFAOYSA-N
XLogP65.68
TPSA447.60 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds69
Heavy Atoms326
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004582.55
LogP ≤ 565.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate?
The IUPAC name of [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate (CID 159441944) is [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate.
What is the SMILES notation for [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate?
The canonical SMILES for [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate is CC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5cc(Br)ccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(C)COC7)cc6)cc5)ccc5cc(Br)ccc45)cc3)cc2)COC1.CC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(C)COC7)cc6)cc5)ccc5ccccc45)cc3)cc2)COC1.CCC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5cc(Br)ccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(CC)COC7)cc6)cc5)ccc5cc(Br)ccc45)cc3)cc2)COC1.CCC1(COc2ccc(-c3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(-c6ccc(OCC7(CC)COC7)cc6)cc5)ccc5ccccc45)cc3)cc2)COC1.CCC1(COc2ccc3cc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc6cc(OCC7(CC)COC7)ccc6c5)ccc5ccccc45)ccc3c2)COC1.
What is the InChIKey of [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate?
The InChIKey is LSGYJNYILDIHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48Br2O8.C58H50O8.C56H44Br2O8.C56H46O8.C54H46O8/c1-3-57(31-63-32-57)35-65-47-21-13-39(14-22-47)37-5-9-41(10-6-37)55(61)67-51-27-17-43-29-45(59)19-25-49(43)53(51)54-50-26-20-46(60)30-44(50)18-28-52(54)68-56(62)42-11-7-38(8-12-42)40-15-23-48(24-16-40)66-36-58(4-2)33-64-34-58;1-3-57(33-61-34-57)37-63-47-27-21-41(22-28-47)39-13-17-45(18-14-39)55(59)65-51-31-25-43-9-5-7-11-49(43)53(51)54-50-12-8-6-10-44(50)26-32-52(54)66-56(60)46-19-15-40(16-20-46)42-23-29-48(30-24-42)64-38-58(4-2)35-62-36-58;1-55(29-61-30-55)33-63-45-19-11-37(12-20-45)35-3-7-39(8-4-35)53(59)65-49-25-15-41-27-43(57)17-23-47(41)51(49)52-48-24-18-44(58)28-42(48)16-26-50(52)66-54(60)40-9-5-36(6-10-40)38-13-21-46(22-14-38)64-34-56(2)31-62-32-56;1-55(31-59-32-55)35-61-45-25-19-39(20-26-45)37-11-15-43(16-12-37)53(57)63-49-29-23-41-7-3-5-9-47(41)51(49)52-48-10-6-4-8-42(48)24-30-50(52)64-54(58)44-17-13-38(14-18-44)40-21-27-46(28-22-40)62-36-56(2)33-60-34-56;1-3-53(29-57-30-53)33-59-43-21-17-37-25-41(15-13-39(37)27-43)51(55)61-47-23-19-35-9-5-7-11-45(35)49(47)50-46-12-8-6-10-36(46)20-24-48(50)62-52(56)42-16-14-40-28-44(22-18-38(40)26-42)60-34-54(4-2)31-58-32-54/h5-30H,3-4,31-36H2,1-2H3;5-32H,3-4,33-38H2,1-2H3;3-28H,29-34H2,1-2H3;3-30H,31-36H2,1-2H3;5-28H,3-4,29-34H2,1-2H3.
What are the key properties of [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate?
[6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate has a molecular weight of 4582.55 g/mol, XLogP of 65.68, 69 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-1-[6-bromo-2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[6-bromo-1-[6-bromo-2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[(3-ethyloxetan-3-yl)methoxy]naphthalene-2-carboxylate;[1-[2-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]benzoate;[1-[2-[4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]benzoate is sourced from PubChem (CID 159441944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).