[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride

C26H26ClN5O — CID 3081985

IUPAC[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
SMILESCc1cc(/N=N/c2c(O)ccc3ccccc23)ccc1/N=N/c1cccc([N+](C)(C)C)c1.[Cl-]
InChIInChI=1S/C26H25N5O.ClH/c1-18-16-21(28-30-26-23-11-6-5-8-19(23)12-15-25(26)32)13-14-24(18)29-27-20-9-7-10-22(17-20)31(2,3)4;/h5-17H,1-4H3;1H
InChIKeyHGWOEPQHKBLMKW-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.89
Rot. Bonds5

About [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride

[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride (PubChem CID 3081985) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
PubChem CID3081985
Molecular FormulaC26H26ClN5O
Molecular Weight459.98 g/mol
Exact Mass459.18
IUPAC Name[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
SMILESCc1cc(/N=N/c2c(O)ccc3ccccc23)ccc1/N=N/c1cccc([N+](C)(C)C)c1.[Cl-]
InChIInChI=1S/C26H25N5O.ClH/c1-18-16-21(28-30-26-23-11-6-5-8-19(23)12-15-25(26)32)13-14-24(18)29-27-20-9-7-10-22(17-20)31(2,3)4;/h5-17H,1-4H3;1H
InChIKeyHGWOEPQHKBLMKW-UHFFFAOYSA-N
XLogP4.89
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.89
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(Phenylazo)-2-naphthol
CID 13297
1-(p-Phenylazophenylazo)-2-naphthol (Sudan III)
CID 62331
Orange OT
CID 17550
Basic Brown 16
CID 117785
Solvent Red 4
CID 75859
Basic Brown 17
CID 135515517
1-(2-Hydroxyphenylazo)-2-naphthol
CID 173398
C.I. Solvent Red 26
CID 62541
Basic Red 118
CID 135487619
Sudan IV
CID 62330
1-[2-[4-[2-(2,5-Dimethylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-naphthalenol
CID 2724054
Chloro(p-((2-hydroxy-1-naphthyl)azo)phenyl)mercury
CID 18318

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride?
The IUPAC name of [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride (CID 3081985) is [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride.
What is the SMILES notation for [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride?
The canonical SMILES for [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride is Cc1cc(/N=N/c2c(O)ccc3ccccc23)ccc1/N=N/c1cccc([N+](C)(C)C)c1.[Cl-].
What is the InChIKey of [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride?
The InChIKey is HGWOEPQHKBLMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O.ClH/c1-18-16-21(28-30-26-23-11-6-5-8-19(23)12-15-25(26)32)13-14-24(18)29-27-20-9-7-10-22(17-20)31(2,3)4;/h5-17H,1-4H3;1H.
What are the key properties of [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride?
[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride has a molecular weight of 459.98 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride is sourced from PubChem (CID 3081985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).