(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene

C31H34N4O — CID 58556728

IUPAC(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene
SMILESCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCCC)cc3)c3ccccc23)cc1
InChIInChI=1S/C31H34N4O/c1-3-5-9-23-36-27-19-17-26(18-20-27)33-35-31-22-21-30(28-11-7-8-12-29(28)31)34-32-25-15-13-24(14-16-25)10-6-4-2/h7-8,11-22H,3-6,9-10,23H2,1-2H3/b34-32+,35-33+
InChIKeySTKRBGOHNKKYNI-XUXOKTBYSA-N
MW478.64 g/mol
LogP10.58
Rot. Bonds12

About (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene

(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene (PubChem CID 58556728) has the molecular formula C31H34N4O and a molecular weight of 478.64 g/mol. Its IUPAC name is (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene.

Molecular Properties

Compound Name(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene
PubChem CID58556728
Molecular FormulaC31H34N4O
Molecular Weight478.64 g/mol
Exact Mass478.27
IUPAC Name(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene
SMILESCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCCC)cc3)c3ccccc23)cc1
InChIInChI=1S/C31H34N4O/c1-3-5-9-23-36-27-19-17-26(18-20-27)33-35-31-22-21-30(28-11-7-8-12-29(28)31)34-32-25-15-13-24(14-16-25)10-6-4-2/h7-8,11-22H,3-6,9-10,23H2,1-2H3/b34-32+,35-33+
InChIKeySTKRBGOHNKKYNI-XUXOKTBYSA-N
XLogP10.58
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 510.58
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-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene
CID 2753424
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl] 4-heptoxybenzoate
CID 132573524
[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
CID 10643169
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
bis(4-heptoxyphenyl)diazene
CID 13087198
[4-(3-bromopropoxy)phenyl]-(4-hexylphenyl)diazene
CID 10811152
[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene
CID 102112802
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
CID 86093178

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene?
The IUPAC name of (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene (CID 58556728) is (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene.
What is the SMILES notation for (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene?
The canonical SMILES for (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene is CCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCCC)cc3)c3ccccc23)cc1.
What is the InChIKey of (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene?
The InChIKey is STKRBGOHNKKYNI-XUXOKTBYSA-N. The full InChI is InChI=1S/C31H34N4O/c1-3-5-9-23-36-27-19-17-26(18-20-27)33-35-31-22-21-30(28-11-7-8-12-29(28)31)34-32-25-15-13-24(14-16-25)10-6-4-2/h7-8,11-22H,3-6,9-10,23H2,1-2H3/b34-32+,35-33+.
What are the key properties of (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene?
(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene has a molecular weight of 478.64 g/mol, XLogP of 10.58, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene is sourced from PubChem (CID 58556728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).