1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol

C26H24N4O — CID 135977813

IUPAC1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
SMILESCc1c(C)c(/N=N/c2c(O)ccc3ccccc23)c(C)c(C)c1/N=N/c1ccccc1
InChIInChI=1S/C26H24N4O/c1-16-18(3)25(19(4)17(2)24(16)28-27-21-11-6-5-7-12-21)29-30-26-22-13-9-8-10-20(22)14-15-23(26)31/h5-15,31H,1-4H3/b28-27+,30-29+
InChIKeyFHOAKQRMMWPJSK-XOXGWFOHSA-N
MW408.50 g/mol
LogP8.61
Rot. Bonds4

About 1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol

1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol (PubChem CID 135977813) has the molecular formula C26H24N4O and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
PubChem CID135977813
Molecular FormulaC26H24N4O
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
SMILESCc1c(C)c(/N=N/c2c(O)ccc3ccccc23)c(C)c(C)c1/N=N/c1ccccc1
InChIInChI=1S/C26H24N4O/c1-16-18(3)25(19(4)17(2)24(16)28-27-21-11-6-5-7-12-21)29-30-26-22-13-9-8-10-20(22)14-15-23(26)31/h5-15,31H,1-4H3/b28-27+,30-29+
InChIKeyFHOAKQRMMWPJSK-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 ≤ 500408.50
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-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol (CID 135977813) is 1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol is Cc1c(C)c(/N=N/c2c(O)ccc3ccccc23)c(C)c(C)c1/N=N/c1ccccc1.
What is the InChIKey of 1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is FHOAKQRMMWPJSK-XOXGWFOHSA-N. The full InChI is InChI=1S/C26H24N4O/c1-16-18(3)25(19(4)17(2)24(16)28-27-21-11-6-5-7-12-21)29-30-26-22-13-9-8-10-20(22)14-15-23(26)31/h5-15,31H,1-4H3/b28-27+,30-29+.
What are the key properties of 1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol?
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 408.50 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-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135977813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).