bis[(2-phenoxybenzoyl)diazenyl] carbonate

C27H18N4O7 — CID 68570773

IUPACbis[(2-phenoxybenzoyl)diazenyl] carbonate
SMILESO=C(O/N=N/C(=O)c1ccccc1Oc1ccccc1)O/N=N/C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H18N4O7/c32-25(21-15-7-9-17-23(21)35-19-11-3-1-4-12-19)28-30-37-27(34)38-31-29-26(33)22-16-8-10-18-24(22)36-20-13-5-2-6-14-20/h1-18H/b30-28+,31-29+
InChIKeyXUSNTGBOODSHIY-FUEWEDNTSA-N
MW510.46 g/mol
LogP7.14
Rot. Bonds8

About bis[(2-phenoxybenzoyl)diazenyl] carbonate

bis[(2-phenoxybenzoyl)diazenyl] carbonate (PubChem CID 68570773) has the molecular formula C27H18N4O7 and a molecular weight of 510.46 g/mol. Its IUPAC name is bis[(2-phenoxybenzoyl)diazenyl] carbonate.

Molecular Properties

Compound Namebis[(2-phenoxybenzoyl)diazenyl] carbonate
PubChem CID68570773
Molecular FormulaC27H18N4O7
Molecular Weight510.46 g/mol
Exact Mass510.12
IUPAC Namebis[(2-phenoxybenzoyl)diazenyl] carbonate
SMILESO=C(O/N=N/C(=O)c1ccccc1Oc1ccccc1)O/N=N/C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H18N4O7/c32-25(21-15-7-9-17-23(21)35-19-11-3-1-4-12-19)28-30-37-27(34)38-31-29-26(33)22-16-8-10-18-24(22)36-20-13-5-2-6-14-20/h1-18H/b30-28+,31-29+
InChIKeyXUSNTGBOODSHIY-FUEWEDNTSA-N
XLogP7.14
TPSA137.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.46
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

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Related Compounds

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
phenyl 2-phenoxybenzoate
CID 2471273
2-(4-phenoxyphenoxy)benzoate
CID 6946814
benzoic acid;2-phenoxybenzoic acid
CID 160712085
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
4-oxo-4-(2-phenoxyphenyl)butanoic acid
CID 11536339
2-phenoxy-N-phenylbenzamide
CID 3402306
4-(2-phenoxybenzoyl)benzenecarboximidamide
CID 71388814
2-phenoxybenzoyl cyanide;toluene
CID 175229842
2-fluoro-3-phenoxybenzamide
CID 58104414

Frequently Asked Questions

What is the IUPAC name of bis[(2-phenoxybenzoyl)diazenyl] carbonate?
The IUPAC name of bis[(2-phenoxybenzoyl)diazenyl] carbonate (CID 68570773) is bis[(2-phenoxybenzoyl)diazenyl] carbonate.
What is the SMILES notation for bis[(2-phenoxybenzoyl)diazenyl] carbonate?
The canonical SMILES for bis[(2-phenoxybenzoyl)diazenyl] carbonate is O=C(O/N=N/C(=O)c1ccccc1Oc1ccccc1)O/N=N/C(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of bis[(2-phenoxybenzoyl)diazenyl] carbonate?
The InChIKey is XUSNTGBOODSHIY-FUEWEDNTSA-N. The full InChI is InChI=1S/C27H18N4O7/c32-25(21-15-7-9-17-23(21)35-19-11-3-1-4-12-19)28-30-37-27(34)38-31-29-26(33)22-16-8-10-18-24(22)36-20-13-5-2-6-14-20/h1-18H/b30-28+,31-29+.
What are the key properties of bis[(2-phenoxybenzoyl)diazenyl] carbonate?
bis[(2-phenoxybenzoyl)diazenyl] carbonate has a molecular weight of 510.46 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-phenoxybenzoyl)diazenyl] carbonate is sourced from PubChem (CID 68570773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).