4-(4-carbonazidoylphenyl)benzoyl azide

C14H8N6O2 — CID 101036064

IUPAC4-(4-carbonazidoylphenyl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccc(C(=O)N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C14H8N6O2/c15-19-17-13(21)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(22)18-20-16/h1-8H
InChIKeyCAZLKPSOQNTJCF-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.25
Rot. Bonds3

About 4-(4-carbonazidoylphenyl)benzoyl azide

4-(4-carbonazidoylphenyl)benzoyl azide (PubChem CID 101036064) has the molecular formula C14H8N6O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(4-carbonazidoylphenyl)benzoyl azide.

Molecular Properties

Compound Name4-(4-carbonazidoylphenyl)benzoyl azide
PubChem CID101036064
Molecular FormulaC14H8N6O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name4-(4-carbonazidoylphenyl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccc(C(=O)N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C14H8N6O2/c15-19-17-13(21)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(22)18-20-16/h1-8H
InChIKeyCAZLKPSOQNTJCF-UHFFFAOYSA-N
XLogP4.25
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-carbonazidoylphenyl)benzoyl azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzoyl azide;hydrochloride
CID 174620684
4-ethylbenzoyl azide
CID 43307154
4-(2-cyanoacetyl)benzoyl azide
CID 143581887
4-(methylaminosulfanyl)benzoyl azide
CID 169189363
3-phenylbenzoic acid;3-phenylbenzoyl azide
CID 160691577
anthracene-2-carbonyl azide
CID 102488485
benzoyl azide;(NE)-N-ethylidenehydroxylamine
CID 135184096
3-bromo-4-methylbenzoyl azide
CID 81472134
4-(piperidin-1-ylmethyl)benzoyl azide
CID 141453414
3,4-diethoxybenzoyl azide
CID 43307138
3-fluorobenzoyl azide
CID 12613734
5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide
CID 58934310

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbonazidoylphenyl)benzoyl azide?
The IUPAC name of 4-(4-carbonazidoylphenyl)benzoyl azide (CID 101036064) is 4-(4-carbonazidoylphenyl)benzoyl azide.
What is the SMILES notation for 4-(4-carbonazidoylphenyl)benzoyl azide?
The canonical SMILES for 4-(4-carbonazidoylphenyl)benzoyl azide is [N-]=[N+]=NC(=O)c1ccc(-c2ccc(C(=O)N=[N+]=[N-])cc2)cc1.
What is the InChIKey of 4-(4-carbonazidoylphenyl)benzoyl azide?
The InChIKey is CAZLKPSOQNTJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6O2/c15-19-17-13(21)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(22)18-20-16/h1-8H.
What are the key properties of 4-(4-carbonazidoylphenyl)benzoyl azide?
4-(4-carbonazidoylphenyl)benzoyl azide has a molecular weight of 292.26 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbonazidoylphenyl)benzoyl azide is sourced from PubChem (CID 101036064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).