(4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene

C23H18N2O2 — CID 631907

IUPAC(4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene
SMILESCOc1ccc(/N=N/c2c(Oc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c1-26-19-14-12-18(13-15-19)24-25-23-21-10-6-5-7-17(21)11-16-22(23)27-20-8-3-2-4-9-20/h2-16H,1H3/b25-24+
InChIKeyCUJNBFMIOKHZCL-OCOZRVBESA-N
MW354.41 g/mol
LogP7.06
Rot. Bonds5

About (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene

(4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene (PubChem CID 631907) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene
PubChem CID631907
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name(4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene
SMILESCOc1ccc(/N=N/c2c(Oc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c1-26-19-14-12-18(13-15-19)24-25-23-21-10-6-5-7-17(21)11-16-22(23)27-20-8-3-2-4-9-20/h2-16H,1H3/b25-24+
InChIKeyCUJNBFMIOKHZCL-OCOZRVBESA-N
XLogP7.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene?
The IUPAC name of (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene (CID 631907) is (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene.
What is the SMILES notation for (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene?
The canonical SMILES for (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene is COc1ccc(/N=N/c2c(Oc3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene?
The InChIKey is CUJNBFMIOKHZCL-OCOZRVBESA-N. The full InChI is InChI=1S/C23H18N2O2/c1-26-19-14-12-18(13-15-19)24-25-23-21-10-6-5-7-17(21)11-16-22(23)27-20-8-3-2-4-9-20/h2-16H,1H3/b25-24+.
What are the key properties of (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene?
(4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene has a molecular weight of 354.41 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-phenoxynaphthalen-1-yl)diazene is sourced from PubChem (CID 631907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).