bis(4-decylphenyl)diazene

C32H50N2 — CID 71359462

IUPACbis(4-decylphenyl)diazene
SMILESCCCCCCCCCCc1ccc(/N=N/c2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C32H50N2/c1-3-5-7-9-11-13-15-17-19-29-21-25-31(26-22-29)33-34-32-27-23-30(24-28-32)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3/b34-33+
InChIKeyBDKMJLSJFJTBOM-JEIPZWNWSA-N
MW462.77 g/mol
LogP11.47
Rot. Bonds20

About bis(4-decylphenyl)diazene

bis(4-decylphenyl)diazene (PubChem CID 71359462) has the molecular formula C32H50N2 and a molecular weight of 462.77 g/mol. Its IUPAC name is bis(4-decylphenyl)diazene.

Molecular Properties

Compound Namebis(4-decylphenyl)diazene
PubChem CID71359462
Molecular FormulaC32H50N2
Molecular Weight462.77 g/mol
Exact Mass462.40
IUPAC Namebis(4-decylphenyl)diazene
SMILESCCCCCCCCCCc1ccc(/N=N/c2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C32H50N2/c1-3-5-7-9-11-13-15-17-19-29-21-25-31(26-22-29)33-34-32-27-23-30(24-28-32)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3/b34-33+
InChIKeyBDKMJLSJFJTBOM-JEIPZWNWSA-N
XLogP11.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.77
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
3-[4-[(4-decylphenyl)diazenyl]phenyl]propane-1-thiol
CID 101009194
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
1-butyl-4-nonylbenzene
CID 59545302
5,11,17,23-tetrakis[(4-octylphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136679492
N'-amino-N-(4-hexylphenyl)iminomethanimidamide
CID 91313473
[4-(3-bromopropoxy)phenyl]-(4-hexylphenyl)diazene
CID 10811152
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
CID 88604896

Frequently Asked Questions

What is the IUPAC name of bis(4-decylphenyl)diazene?
The IUPAC name of bis(4-decylphenyl)diazene (CID 71359462) is bis(4-decylphenyl)diazene.
What is the SMILES notation for bis(4-decylphenyl)diazene?
The canonical SMILES for bis(4-decylphenyl)diazene is CCCCCCCCCCc1ccc(/N=N/c2ccc(CCCCCCCCCC)cc2)cc1.
What is the InChIKey of bis(4-decylphenyl)diazene?
The InChIKey is BDKMJLSJFJTBOM-JEIPZWNWSA-N. The full InChI is InChI=1S/C32H50N2/c1-3-5-7-9-11-13-15-17-19-29-21-25-31(26-22-29)33-34-32-27-23-30(24-28-32)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3/b34-33+.
What are the key properties of bis(4-decylphenyl)diazene?
bis(4-decylphenyl)diazene has a molecular weight of 462.77 g/mol, XLogP of 11.47, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-decylphenyl)diazene is sourced from PubChem (CID 71359462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).