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

C26H24N4O — CID 162511969

IUPAC1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol
SMILESCc1ccc(C)c(-c2cc(C)c(/N=N/N=N/c3c(O)ccc4ccccc34)cc2C)c1
InChIInChI=1S/C26H24N4O/c1-16-9-10-17(2)22(13-16)23-14-19(4)24(15-18(23)3)27-29-30-28-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3/b29-27+,30-28+
InChIKeyPWGIANAHEMKARU-QAVVBOBSSA-N
MW408.51 g/mol
LogP8.23
Rot. Bonds4

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

1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol (PubChem CID 162511969) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol
PubChem CID162511969
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol
SMILESCc1ccc(C)c(-c2cc(C)c(/N=N/N=N/c3c(O)ccc4ccccc34)cc2C)c1
InChIInChI=1S/C26H24N4O/c1-16-9-10-17(2)22(13-16)23-14-19(4)24(15-18(23)3)27-29-30-28-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3/b29-27+,30-28+
InChIKeyPWGIANAHEMKARU-QAVVBOBSSA-N
XLogP8.23
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol
CID 154145650
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid
CID 2748965
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
CID 2843870
1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
CID 137143767
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
2-[2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylphenyl]-3-methyl-1H-pyrazol-5-one
CID 135436621
[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
CID 3081985
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol
CID 136629139
1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 136818473

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol (CID 162511969) is 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol is Cc1ccc(C)c(-c2cc(C)c(/N=N/N=N/c3c(O)ccc4ccccc34)cc2C)c1.
What is the InChIKey of 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol?
The InChIKey is PWGIANAHEMKARU-QAVVBOBSSA-N. The full InChI is InChI=1S/C26H24N4O/c1-16-9-10-17(2)22(13-16)23-14-19(4)24(15-18(23)3)27-29-30-28-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3/b29-27+,30-28+.
What are the key properties of 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol?
1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol has a molecular weight of 408.51 g/mol, XLogP of 8.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 162511969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).