10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol

C26H32N2OS — CID 71350821

IUPAC10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol
SMILESSCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C26H32N2OS/c30-21-13-6-4-2-1-3-5-12-20-29-26-19-18-25(23-16-10-11-17-24(23)26)28-27-22-14-8-7-9-15-22/h7-11,14-19,30H,1-6,12-13,20-21H2/b28-27+
InChIKeyNLXMCRUHRPMKHA-BYYHNAKLSA-N
MW420.62 g/mol
LogP8.68
Rot. Bonds13

About 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol

10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol (PubChem CID 71350821) has the molecular formula C26H32N2OS and a molecular weight of 420.62 g/mol. Its IUPAC name is 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol.

Molecular Properties

Compound Name10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol
PubChem CID71350821
Molecular FormulaC26H32N2OS
Molecular Weight420.62 g/mol
Exact Mass420.22
IUPAC Name10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol
SMILESSCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C26H32N2OS/c30-21-13-6-4-2-1-3-5-12-20-29-26-19-18-25(23-16-10-11-17-24(23)26)28-27-22-14-8-7-9-15-22/h7-11,14-19,30H,1-6,12-13,20-21H2/b28-27+
InChIKeyNLXMCRUHRPMKHA-BYYHNAKLSA-N
XLogP8.68
TPSA33.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl] 4-heptoxybenzoate
CID 132573524
10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol
CID 166793020
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
1,4-didodecoxynaphthalene
CID 21304164
[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-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene
CID 58556728
(3-chloro-4-decoxyphenyl)-phenyldiazene
CID 101410584
5-[2-(5-sulfanylpentoxy)phenyl]pentane-1-thiol
CID 147977674
11-[[14-(11-sulfanylundecoxy)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaenyl]oxy]undecane-1-thiol
CID 10605525

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol?
The IUPAC name of 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol (CID 71350821) is 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol.
What is the SMILES notation for 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol?
The canonical SMILES for 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol is SCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)c2ccccc12.
What is the InChIKey of 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol?
The InChIKey is NLXMCRUHRPMKHA-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H32N2OS/c30-21-13-6-4-2-1-3-5-12-20-29-26-19-18-25(23-16-10-11-17-24(23)26)28-27-22-14-8-7-9-15-22/h7-11,14-19,30H,1-6,12-13,20-21H2/b28-27+.
What are the key properties of 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol?
10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol has a molecular weight of 420.62 g/mol, XLogP of 8.68, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenyldiazenylnaphthalen-1-yl)oxydecane-1-thiol is sourced from PubChem (CID 71350821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).