[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate

C126H88O20 — CID 157381645

IUPAC[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate
SMILESCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(OC(=O)c6ccc(OC(=O)c7ccc(CC)cc7)cc6)cc5)ccc5ccccc45)cc3)cc2)cc1.CCc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc6cc(OC(=O)c7ccc(CC)cc7)ccc6c5)ccc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C66H46O12.C60H42O8/c1-3-41-13-17-45(18-14-41)61(67)73-51-31-21-47(22-32-51)63(69)75-53-35-25-49(26-36-53)65(71)77-57-39-29-43-9-5-7-11-55(43)59(57)60-56-12-8-6-10-44(56)30-40-58(60)78-66(72)50-27-37-54(38-28-50)76-64(70)48-23-33-52(34-24-48)74-62(68)46-19-15-42(4-2)16-20-46;1-3-37-13-17-41(18-14-37)57(61)65-49-29-25-43-33-47(23-21-45(43)35-49)59(63)67-53-31-27-39-9-5-7-11-51(39)55(53)56-52-12-8-6-10-40(52)28-32-54(56)68-60(64)48-24-22-46-36-50(30-26-44(46)34-48)66-58(62)42-19-15-38(4-2)16-20-42/h5-40H,3-4H2,1-2H3;5-36H,3-4H2,1-2H3
InChIKeyBKYKNIQCRUHZAC-UHFFFAOYSA-N
MW1922.07 g/mol
LogP28.07
Rot. Bonds26

About [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate

[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate (PubChem CID 157381645) has the molecular formula C126H88O20 and a molecular weight of 1922.07 g/mol. Its IUPAC name is [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate
PubChem CID157381645
Molecular FormulaC126H88O20
Molecular Weight1922.07 g/mol
Exact Mass1920.59
IUPAC Name[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate
SMILESCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(OC(=O)c6ccc(OC(=O)c7ccc(CC)cc7)cc6)cc5)ccc5ccccc45)cc3)cc2)cc1.CCc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc6cc(OC(=O)c7ccc(CC)cc7)ccc6c5)ccc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C66H46O12.C60H42O8/c1-3-41-13-17-45(18-14-41)61(67)73-51-31-21-47(22-32-51)63(69)75-53-35-25-49(26-36-53)65(71)77-57-39-29-43-9-5-7-11-55(43)59(57)60-56-12-8-6-10-44(56)30-40-58(60)78-66(72)50-27-37-54(38-28-50)76-64(70)48-23-33-52(34-24-48)74-62(68)46-19-15-42(4-2)16-20-46;1-3-37-13-17-41(18-14-37)57(61)65-49-29-25-43-33-47(23-21-45(43)35-49)59(63)67-53-31-27-39-9-5-7-11-51(39)55(53)56-52-12-8-6-10-40(52)28-32-54(56)68-60(64)48-24-22-46-36-50(30-26-44(46)34-48)66-58(62)42-19-15-38(4-2)16-20-42/h5-40H,3-4H2,1-2H3;5-36H,3-4H2,1-2H3
InChIKeyBKYKNIQCRUHZAC-UHFFFAOYSA-N
XLogP28.07
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.07
LogP ≤ 528.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate with MolForge

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Related Compounds

[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate
CID 118029962
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
[1-[2-(4-propoxybenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 4-propoxybenzoate
CID 158022369
[4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate
CID 58309027
(6-bromonaphthalen-2-yl) 4-ethylbenzoate
CID 4038314
naphthalen-2-yl 4-butylbenzoate
CID 532284
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
naphthalen-2-yl 4-(acetamidomethyl)benzoate
CID 43030693
[1-[3-[6-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalene-2-carboxylate
CID 118100011
2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
CID 142376943
naphthalen-2-yl 4-methoxybenzoate
CID 532400
[4-[(E)-3-[1-[2-[(E)-3-(4-benzoyloxyphenyl)prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]phenyl] benzoate
CID 146437675

Frequently Asked Questions

What is the IUPAC name of [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate?
The IUPAC name of [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate (CID 157381645) is [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate.
What is the SMILES notation for [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate?
The canonical SMILES for [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate is CCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(OC(=O)c6ccc(OC(=O)c7ccc(CC)cc7)cc6)cc5)ccc5ccccc45)cc3)cc2)cc1.CCc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc6cc(OC(=O)c7ccc(CC)cc7)ccc6c5)ccc5ccccc45)ccc3c2)cc1.
What is the InChIKey of [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate?
The InChIKey is BKYKNIQCRUHZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46O12.C60H42O8/c1-3-41-13-17-45(18-14-41)61(67)73-51-31-21-47(22-32-51)63(69)75-53-35-25-49(26-36-53)65(71)77-57-39-29-43-9-5-7-11-55(43)59(57)60-56-12-8-6-10-44(56)30-40-58(60)78-66(72)50-27-37-54(38-28-50)76-64(70)48-23-33-52(34-24-48)74-62(68)46-19-15-42(4-2)16-20-46;1-3-37-13-17-41(18-14-37)57(61)65-49-29-25-43-33-47(23-21-45(43)35-49)59(63)67-53-31-27-39-9-5-7-11-51(39)55(53)56-52-12-8-6-10-40(52)28-32-54(56)68-60(64)48-24-22-46-36-50(30-26-44(46)34-48)66-58(62)42-19-15-38(4-2)16-20-42/h5-40H,3-4H2,1-2H3;5-36H,3-4H2,1-2H3.
What are the key properties of [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate?
[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate has a molecular weight of 1922.07 g/mol, XLogP of 28.07, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate is sourced from PubChem (CID 157381645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).