9-(3-diazoprop-1-enyl)anthracene

C17H12N2 — CID 54369939

IUPAC9-(3-diazoprop-1-enyl)anthracene
SMILES[N-]=[N+]=CC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H12N2/c18-19-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H
InChIKeyUSLLHVHFPBQPSH-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.31
Rot. Bonds2

About 9-(3-diazoprop-1-enyl)anthracene

9-(3-diazoprop-1-enyl)anthracene (PubChem CID 54369939) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 9-(3-diazoprop-1-enyl)anthracene.

Molecular Properties

Compound Name9-(3-diazoprop-1-enyl)anthracene
PubChem CID54369939
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name9-(3-diazoprop-1-enyl)anthracene
SMILES[N-]=[N+]=CC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H12N2/c18-19-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H
InChIKeyUSLLHVHFPBQPSH-UHFFFAOYSA-N
XLogP4.31
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.31
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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Related Compounds

9-Diazomethylanthracene
CID 3035201
2-(Phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
CID 44531578
2-(Phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
CID 44531837
2-(Phenanthren-2-ylmethylideneamino)guanidine;hydrochloride
CID 44531853
N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine
CID 361325
2-(2-Naphthalenylmethylene)Hydrazinecarboximidamide
CID 9573375
2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride
CID 71717740
2-(2-Azidoethyl)naphthalene
CID 85816860
1-Naphthalenecarboxaldehyde, 2-(1-naphthalenylmethylene)hydrazone
CID 6861471
N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine
CID 23471426
2-[[10-[2-(dimethylamino)ethyliminomethyl]anthracen-9-yl]methylideneamino]-N,N-dimethylethanamine
CID 44275758
(E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-imine
CID 44457596

Frequently Asked Questions

What is the IUPAC name of 9-(3-diazoprop-1-enyl)anthracene?
The IUPAC name of 9-(3-diazoprop-1-enyl)anthracene (CID 54369939) is 9-(3-diazoprop-1-enyl)anthracene.
What is the SMILES notation for 9-(3-diazoprop-1-enyl)anthracene?
The canonical SMILES for 9-(3-diazoprop-1-enyl)anthracene is [N-]=[N+]=CC=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(3-diazoprop-1-enyl)anthracene?
The InChIKey is USLLHVHFPBQPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c18-19-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H.
What are the key properties of 9-(3-diazoprop-1-enyl)anthracene?
9-(3-diazoprop-1-enyl)anthracene has a molecular weight of 244.30 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-diazoprop-1-enyl)anthracene is sourced from PubChem (CID 54369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).