5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol

C26H28N4O — CID 137198990

IUPAC5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol
SMILESCCN(CC)CCNc1ccc(/N=N/c2cccc3c(O)cccc23)c2ccccc12
InChIInChI=1S/C26H28N4O/c1-3-30(4-2)18-17-27-23-15-16-25(20-10-6-5-9-19(20)23)29-28-24-13-7-12-22-21(24)11-8-14-26(22)31/h5-16,27,31H,3-4,17-18H2,1-2H3/b29-28+
InChIKeyOHGPYOPCLSYIDX-ZQHSETAFSA-N
MW412.54 g/mol
LogP6.87
Rot. Bonds8

About 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol

5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol (PubChem CID 137198990) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol
PubChem CID137198990
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol
SMILESCCN(CC)CCNc1ccc(/N=N/c2cccc3c(O)cccc23)c2ccccc12
InChIInChI=1S/C26H28N4O/c1-3-30(4-2)18-17-27-23-15-16-25(20-10-6-5-9-19(20)23)29-28-24-13-7-12-22-21(24)11-8-14-26(22)31/h5-16,27,31H,3-4,17-18H2,1-2H3/b29-28+
InChIKeyOHGPYOPCLSYIDX-ZQHSETAFSA-N
XLogP6.87
TPSA60.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine
CID 97355875
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
5-(dodecylamino)naphthalen-1-ol
CID 11438841
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
CID 117067404
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol
CID 4238323
N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 12714490
ethane;naphthalene-1,5-diol;propane
CID 161367010
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
2-[2-(diethylamino)ethylamino]benzenecarbothioamide
CID 28601052

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol?
The IUPAC name of 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol (CID 137198990) is 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol.
What is the SMILES notation for 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol?
The canonical SMILES for 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol is CCN(CC)CCNc1ccc(/N=N/c2cccc3c(O)cccc23)c2ccccc12.
What is the InChIKey of 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol?
The InChIKey is OHGPYOPCLSYIDX-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H28N4O/c1-3-30(4-2)18-17-27-23-15-16-25(20-10-6-5-9-19(20)23)29-28-24-13-7-12-22-21(24)11-8-14-26(22)31/h5-16,27,31H,3-4,17-18H2,1-2H3/b29-28+.
What are the key properties of 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol?
5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol has a molecular weight of 412.54 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol is sourced from PubChem (CID 137198990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).