(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene

C35H49N3O2 — CID 86093178

IUPAC(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
SMILESCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCc3ccncc3)cc2)cc1
InChIInChI=1S/C35H49N3O2/c1-2-3-4-5-6-7-8-9-11-14-29-39-34-21-17-32(18-22-34)37-38-33-19-23-35(24-20-33)40-30-15-12-10-13-16-31-25-27-36-28-26-31/h17-28H,2-16,29-30H2,1H3/b38-37+
InChIKeyVXLWDKSNMUIJJT-HEFFKOSUSA-N
MW543.80 g/mol
LogP10.98
Rot. Bonds22

About (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene

(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene (PubChem CID 86093178) has the molecular formula C35H49N3O2 and a molecular weight of 543.80 g/mol. Its IUPAC name is (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene.

Molecular Properties

Compound Name(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
PubChem CID86093178
Molecular FormulaC35H49N3O2
Molecular Weight543.80 g/mol
Exact Mass543.38
IUPAC Name(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
SMILESCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCc3ccncc3)cc2)cc1
InChIInChI=1S/C35H49N3O2/c1-2-3-4-5-6-7-8-9-11-14-29-39-34-21-17-32(18-22-34)37-38-33-19-23-35(24-20-33)40-30-15-12-10-13-16-31-25-27-36-28-26-31/h17-28H,2-16,29-30H2,1H3/b38-37+
InChIKeyVXLWDKSNMUIJJT-HEFFKOSUSA-N
XLogP10.98
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.80
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
CID 118469809
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
bis(4-heptoxyphenyl)diazene
CID 13087198
[4-(3-bromopropoxy)phenyl]-(4-hexylphenyl)diazene
CID 10811152
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
1-hexoxy-4-pentylbenzene
CID 54277450
6-[4-[(4-octylphenyl)diazenyl]phenoxy]hexanoic acid
CID 56996290
11-[4-[(4-pentylphenyl)diazenyl]phenoxy]undecanoic acid
CID 101447317
sodium 6-[4-[(4-octylphenyl)diazenyl]phenoxy]hexanoate
CID 102039493

Frequently Asked Questions

What is the IUPAC name of (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene?
The IUPAC name of (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene (CID 86093178) is (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene.
What is the SMILES notation for (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene?
The canonical SMILES for (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene is CCCCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCc3ccncc3)cc2)cc1.
What is the InChIKey of (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene?
The InChIKey is VXLWDKSNMUIJJT-HEFFKOSUSA-N. The full InChI is InChI=1S/C35H49N3O2/c1-2-3-4-5-6-7-8-9-11-14-29-39-34-21-17-32(18-22-34)37-38-33-19-23-35(24-20-33)40-30-15-12-10-13-16-31-25-27-36-28-26-31/h17-28H,2-16,29-30H2,1H3/b38-37+.
What are the key properties of (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene?
(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene has a molecular weight of 543.80 g/mol, XLogP of 10.98, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene is sourced from PubChem (CID 86093178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).