[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate

C27H29N5O3 — CID 134216719

IUPAC[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C27H29N5O3/c1-2-3-4-27(33)35-26-15-11-24(12-16-26)31-29-22-7-5-21(6-8-22)28-30-23-9-13-25(14-10-23)32-17-19-34-20-18-32/h5-16H,2-4,17-20H2,1H3/b30-28+,31-29+
InChIKeyCQSZVUZQHQVKET-FUEWEDNTSA-N
MW471.56 g/mol
LogP7.45
Rot. Bonds9

About [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate

[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate (PubChem CID 134216719) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate.

Molecular Properties

Compound Name[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate
PubChem CID134216719
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C27H29N5O3/c1-2-3-4-27(33)35-26-15-11-24(12-16-26)31-29-22-7-5-21(6-8-22)28-30-23-9-13-25(14-10-23)32-17-19-34-20-18-32/h5-16H,2-4,17-20H2,1H3/b30-28+,31-29+
InChIKeyCQSZVUZQHQVKET-FUEWEDNTSA-N
XLogP7.45
TPSA88.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate with MolForge

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Related Compounds

[4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate
CID 70331616
(4-butanimidoylphenyl) 4-(4-morpholin-4-ylphenyl)butanoate
CID 174435960
(4-butoxyphenyl)-[4-[4-[4-[(4-butoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene
CID 139387004
bis[4-[(4-decoxyphenyl)diazenyl]phenyl] tridecanedioate
CID 132525733
[4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate
CID 71364904
[4-[(4-ethoxyphenyl)diazenyl]phenyl] tetradecanoate
CID 71414309
[4-[(4-acetylphenyl)diazenyl]phenyl] octanoate
CID 71374793
(4-piperazin-1-ylphenyl) butanoate
CID 123824502
[4-[(4-butoxyphenyl)diazenyl]phenyl] 3-bromopropanoate
CID 71443458
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl] octanoate
CID 102169469
[4-[(3-tert-butyl-4-hydroxyphenyl)diazenyl]phenyl] pentanoate
CID 136634779

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate?
The IUPAC name of [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate (CID 134216719) is [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate.
What is the SMILES notation for [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate?
The canonical SMILES for [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate is CCCCC(=O)Oc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate?
The InChIKey is CQSZVUZQHQVKET-FUEWEDNTSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-2-3-4-27(33)35-26-15-11-24(12-16-26)31-29-22-7-5-21(6-8-22)28-30-23-9-13-25(14-10-23)32-17-19-34-20-18-32/h5-16H,2-4,17-20H2,1H3/b30-28+,31-29+.
What are the key properties of [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate?
[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate has a molecular weight of 471.56 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate is sourced from PubChem (CID 134216719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).