1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol

C26H24N4O — CID 2724054

IUPAC1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol
SMILESCc1ccc(C)c(/N=N/c2cc(C)c(/N=N/c3c(O)ccc4ccccc34)cc2C)c1
InChIInChI=1S/C26H24N4O/c1-16-9-10-17(2)22(13-16)27-28-23-14-19(4)24(15-18(23)3)29-30-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3/b28-27+,30-29+
InChIKeyNPGIHFRTRXVWOY-XOXGWFOHSA-N
MW408.51 g/mol
LogP8.61
Rot. Bonds4

About 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol

1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol (PubChem CID 2724054) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol
PubChem CID2724054
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol
SMILESCc1ccc(C)c(/N=N/c2cc(C)c(/N=N/c3c(O)ccc4ccccc34)cc2C)c1
InChIInChI=1S/C26H24N4O/c1-16-9-10-17(2)22(13-16)27-28-23-14-19(4)24(15-18(23)3)29-30-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3/b28-27+,30-29+
InChIKeyNPGIHFRTRXVWOY-XOXGWFOHSA-N
XLogP8.61
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 58.61
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol (CID 2724054) is 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol is Cc1ccc(C)c(/N=N/c2cc(C)c(/N=N/c3c(O)ccc4ccccc34)cc2C)c1.
What is the InChIKey of 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol?
The InChIKey is NPGIHFRTRXVWOY-XOXGWFOHSA-N. The full InChI is InChI=1S/C26H24N4O/c1-16-9-10-17(2)22(13-16)27-28-23-14-19(4)24(15-18(23)3)29-30-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3/b28-27+,30-29+.
What are the key properties of 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol?
1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol has a molecular weight of 408.51 g/mol, XLogP of 8.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 2724054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).