2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane

C22H18N2O2 — CID 25243098

IUPAC2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane
SMILES[N-]=[N+]=C(c1ccc(-c2ccccc2)cc1)c1ccccc1C1OCCO1
InChIInChI=1S/C22H18N2O2/c23-24-21(19-8-4-5-9-20(19)22-25-14-15-26-22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,22H,14-15H2
InChIKeyHIBAOSCVTASBJI-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.47
Rot. Bonds4

About 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane

2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane (PubChem CID 25243098) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane
PubChem CID25243098
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane
SMILES[N-]=[N+]=C(c1ccc(-c2ccccc2)cc1)c1ccccc1C1OCCO1
InChIInChI=1S/C22H18N2O2/c23-24-21(19-8-4-5-9-20(19)22-25-14-15-26-22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,22H,14-15H2
InChIKeyHIBAOSCVTASBJI-UHFFFAOYSA-N
XLogP4.47
TPSA54.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane (CID 25243098) is 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane is [N-]=[N+]=C(c1ccc(-c2ccccc2)cc1)c1ccccc1C1OCCO1.
What is the InChIKey of 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane?
The InChIKey is HIBAOSCVTASBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-24-21(19-8-4-5-9-20(19)22-25-14-15-26-22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,22H,14-15H2.
What are the key properties of 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane?
2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane has a molecular weight of 342.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 25243098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).