1-(diazomethyl)anthracene

C15H10N2 — CID 23505455

IUPAC1-(diazomethyl)anthracene
SMILES[N-]=[N+]=Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H10N2/c16-17-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-10H
InChIKeyPBPJPXBULMMAEB-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.64
Rot. Bonds1

About 1-(diazomethyl)anthracene

1-(diazomethyl)anthracene (PubChem CID 23505455) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(diazomethyl)anthracene.

Molecular Properties

Compound Name1-(diazomethyl)anthracene
PubChem CID23505455
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name1-(diazomethyl)anthracene
SMILES[N-]=[N+]=Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H10N2/c16-17-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-10H
InChIKeyPBPJPXBULMMAEB-UHFFFAOYSA-N
XLogP3.64
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diazomethyl)anthracene?
The IUPAC name of 1-(diazomethyl)anthracene (CID 23505455) is 1-(diazomethyl)anthracene.
What is the SMILES notation for 1-(diazomethyl)anthracene?
The canonical SMILES for 1-(diazomethyl)anthracene is [N-]=[N+]=Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-(diazomethyl)anthracene?
The InChIKey is PBPJPXBULMMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-17-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-10H.
What are the key properties of 1-(diazomethyl)anthracene?
1-(diazomethyl)anthracene has a molecular weight of 218.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazomethyl)anthracene is sourced from PubChem (CID 23505455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).