anthracen-9-ylmethoxy(phenyl)diazene

C21H16N2O — CID 91405992

IUPACanthracen-9-ylmethoxy(phenyl)diazene
SMILESc1ccc(/N=N/OCc2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c1-2-10-18(11-3-1)22-23-24-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-14H,15H2/b23-22+
InChIKeyUXXAODATZKIEFA-GHVJWSGMSA-N
MW312.37 g/mol
LogP6.21
Rot. Bonds4

About anthracen-9-ylmethoxy(phenyl)diazene

anthracen-9-ylmethoxy(phenyl)diazene (PubChem CID 91405992) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is anthracen-9-ylmethoxy(phenyl)diazene.

Molecular Properties

Compound Nameanthracen-9-ylmethoxy(phenyl)diazene
PubChem CID91405992
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Nameanthracen-9-ylmethoxy(phenyl)diazene
SMILESc1ccc(/N=N/OCc2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c1-2-10-18(11-3-1)22-23-24-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-14H,15H2/b23-22+
InChIKeyUXXAODATZKIEFA-GHVJWSGMSA-N
XLogP6.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 56.21
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethoxy(phenyl)diazene?
The IUPAC name of anthracen-9-ylmethoxy(phenyl)diazene (CID 91405992) is anthracen-9-ylmethoxy(phenyl)diazene.
What is the SMILES notation for anthracen-9-ylmethoxy(phenyl)diazene?
The canonical SMILES for anthracen-9-ylmethoxy(phenyl)diazene is c1ccc(/N=N/OCc2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of anthracen-9-ylmethoxy(phenyl)diazene?
The InChIKey is UXXAODATZKIEFA-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H16N2O/c1-2-10-18(11-3-1)22-23-24-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-14H,15H2/b23-22+.
What are the key properties of anthracen-9-ylmethoxy(phenyl)diazene?
anthracen-9-ylmethoxy(phenyl)diazene has a molecular weight of 312.37 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethoxy(phenyl)diazene is sourced from PubChem (CID 91405992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).