[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate

C109H83N3O27 — CID 121289449

IUPAC[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate
SMILESCCC(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(C(=O)Oc5ccc(C(=O)Oc6ccc(C(=O)Oc7ccc(C(=O)Oc8ccc(C(=O)Oc9ccc(C(=O)Oc%10ccc(C(=O)Oc%11ccc(C(=O)Oc%12ccc(C(=O)Oc%13ccc(/N=N/c%14ccc(N(CC)CC)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C109H83N3O27/c1-5-68(4)97(113)127-67-9-8-66-126-84-40-10-69(11-41-84)98(114)128-85-42-12-70(13-43-85)99(115)129-86-44-14-71(15-45-86)100(116)130-87-46-16-72(17-47-87)101(117)131-88-48-18-73(19-49-88)102(118)132-89-50-20-74(21-51-89)103(119)133-90-52-22-75(23-53-90)104(120)134-91-54-24-76(25-55-91)105(121)135-92-56-26-77(27-57-92)106(122)136-93-58-28-78(29-59-93)107(123)137-94-60-30-79(31-61-94)108(124)138-95-62-32-80(33-63-95)109(125)139-96-64-36-82(37-65-96)111-110-81-34-38-83(39-35-81)112(6-2)7-3/h10-65,68H,5-9,66-67H2,1-4H3/b111-110+
InChIKeyUKOLNZNGIJDKEB-AQTDYWCOSA-N
MW1866.86 g/mol
LogP21.33
Rot. Bonds37

About [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate

[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate (PubChem CID 121289449) has the molecular formula C109H83N3O27 and a molecular weight of 1866.86 g/mol. Its IUPAC name is [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate.

Molecular Properties

Compound Name[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate
PubChem CID121289449
Molecular FormulaC109H83N3O27
Molecular Weight1866.86 g/mol
Exact Mass1865.52
IUPAC Name[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate
SMILESCCC(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(C(=O)Oc5ccc(C(=O)Oc6ccc(C(=O)Oc7ccc(C(=O)Oc8ccc(C(=O)Oc9ccc(C(=O)Oc%10ccc(C(=O)Oc%11ccc(C(=O)Oc%12ccc(C(=O)Oc%13ccc(/N=N/c%14ccc(N(CC)CC)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C109H83N3O27/c1-5-68(4)97(113)127-67-9-8-66-126-84-40-10-69(11-41-84)98(114)128-85-42-12-70(13-43-85)99(115)129-86-44-14-71(15-45-86)100(116)130-87-46-16-72(17-47-87)101(117)131-88-48-18-73(19-49-88)102(118)132-89-50-20-74(21-51-89)103(119)133-90-52-22-75(23-53-90)104(120)134-91-54-24-76(25-55-91)105(121)135-92-56-26-77(27-57-92)106(122)136-93-58-28-78(29-59-93)107(123)137-94-60-30-79(31-61-94)108(124)138-95-62-32-80(33-63-95)109(125)139-96-64-36-82(37-65-96)111-110-81-34-38-83(39-35-81)112(6-2)7-3/h10-65,68H,5-9,66-67H2,1-4H3/b111-110+
InChIKeyUKOLNZNGIJDKEB-AQTDYWCOSA-N
XLogP21.33
TPSA379.09 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001866.86
LogP ≤ 521.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methylphenoxy)carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate
CID 168747448
[4-(4-methoxyphenyl)phenyl] 4-[6-(2-methylbutanoyloxy)hexoxy]benzoate
CID 153445029
[4-[(4-octoxyphenyl)diazenyl]phenyl] 4-dodecoxybenzoate
CID 102441423
[4-(2-methylbutanoyloxy)phenyl] 4-nonoxybenzoate
CID 70404404
(4-cyanophenyl) 4-[4-(2-methylbutanoyloxy)butoxy]benzoate;octyl 2-methylbutanoate
CID 165103149
4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]butyl 2-tert-butyl-4,4-dimethylpentanoate
CID 130352027
[4-[[4-(2-methylpropoxy)phenyl]diazenyl]phenyl] 4-octoxybenzoate
CID 101192643
[4-[[4-(2-methylpropoxy)phenyl]diazenyl]phenyl] 4-dodecoxybenzoate
CID 101192645
[4-[[4-(3-methylbutoxy)phenyl]diazenyl]phenyl] 4-dodecoxybenzoate
CID 101192631
[4-[2-methyl-4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenoxy]carbonylphenyl] 4-[10-(2-methylbutanoyloxy)decoxy]benzoate
CID 153445037
4-[4-[(4-butoxyphenyl)diazenyl]benzoyl]oxybutyl 4-[(4-butoxyphenyl)diazenyl]benzoate
CID 102178848
6-[4-[4-(methylideneamino)benzoyl]phenoxy]hexyl 2-methylbutanoate
CID 59887041

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate?
The IUPAC name of [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate (CID 121289449) is [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate.
What is the SMILES notation for [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate?
The canonical SMILES for [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate is CCC(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(C(=O)Oc5ccc(C(=O)Oc6ccc(C(=O)Oc7ccc(C(=O)Oc8ccc(C(=O)Oc9ccc(C(=O)Oc%10ccc(C(=O)Oc%11ccc(C(=O)Oc%12ccc(C(=O)Oc%13ccc(/N=N/c%14ccc(N(CC)CC)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate?
The InChIKey is UKOLNZNGIJDKEB-AQTDYWCOSA-N. The full InChI is InChI=1S/C109H83N3O27/c1-5-68(4)97(113)127-67-9-8-66-126-84-40-10-69(11-41-84)98(114)128-85-42-12-70(13-43-85)99(115)129-86-44-14-71(15-45-86)100(116)130-87-46-16-72(17-47-87)101(117)131-88-48-18-73(19-49-88)102(118)132-89-50-20-74(21-51-89)103(119)133-90-52-22-75(23-53-90)104(120)134-91-54-24-76(25-55-91)105(121)135-92-56-26-77(27-57-92)106(122)136-93-58-28-78(29-59-93)107(123)137-94-60-30-79(31-61-94)108(124)138-95-62-32-80(33-63-95)109(125)139-96-64-36-82(37-65-96)111-110-81-34-38-83(39-35-81)112(6-2)7-3/h10-65,68H,5-9,66-67H2,1-4H3/b111-110+.
What are the key properties of [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate?
[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate has a molecular weight of 1866.86 g/mol, XLogP of 21.33, 37 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[4-(diethylamino)phenyl]diazenyl]phenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenoxy]carbonylphenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate is sourced from PubChem (CID 121289449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).