9-(diazomethyl)anthracene

C15H10N2 — CID 3035201

IUPAC9-(diazomethyl)anthracene
SMILES[N-]=[N+]=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H10N2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
InChIKeyXXDVOJKRZBNPFN-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.64
Rot. Bonds1

About 9-(diazomethyl)anthracene

9-(diazomethyl)anthracene (PubChem CID 3035201) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 9-(diazomethyl)anthracene.

Molecular Properties

Compound Name9-(diazomethyl)anthracene
PubChem CID3035201
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name9-(diazomethyl)anthracene
SMILES[N-]=[N+]=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H10N2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
InChIKeyXXDVOJKRZBNPFN-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 9-(diazomethyl)anthracene?
The IUPAC name of 9-(diazomethyl)anthracene (CID 3035201) is 9-(diazomethyl)anthracene.
What is the SMILES notation for 9-(diazomethyl)anthracene?
The canonical SMILES for 9-(diazomethyl)anthracene is [N-]=[N+]=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(diazomethyl)anthracene?
The InChIKey is XXDVOJKRZBNPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H.
What are the key properties of 9-(diazomethyl)anthracene?
9-(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 9-(diazomethyl)anthracene is sourced from PubChem (CID 3035201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).