[4-(10H-phenazin-5-yl)phenyl] benzoate

C25H18N2O2 — CID 163913740

IUPAC[4-(10H-phenazin-5-yl)phenyl] benzoate
SMILESO=C(Oc1ccc(N2c3ccccc3Nc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C25H18N2O2/c28-25(18-8-2-1-3-9-18)29-20-16-14-19(15-17-20)27-23-12-6-4-10-21(23)26-22-11-5-7-13-24(22)27/h1-17,26H
InChIKeyQUKSYIILNBLGEW-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.43
Rot. Bonds3

About [4-(10H-phenazin-5-yl)phenyl] benzoate

[4-(10H-phenazin-5-yl)phenyl] benzoate (PubChem CID 163913740) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-(10H-phenazin-5-yl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(10H-phenazin-5-yl)phenyl] benzoate
PubChem CID163913740
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name[4-(10H-phenazin-5-yl)phenyl] benzoate
SMILESO=C(Oc1ccc(N2c3ccccc3Nc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C25H18N2O2/c28-25(18-8-2-1-3-9-18)29-20-16-14-19(15-17-20)27-23-12-6-4-10-21(23)26-22-11-5-7-13-24(22)27/h1-17,26H
InChIKeyQUKSYIILNBLGEW-UHFFFAOYSA-N
XLogP6.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(10H-phenazin-5-yl)phenyl] benzoate?
The IUPAC name of [4-(10H-phenazin-5-yl)phenyl] benzoate (CID 163913740) is [4-(10H-phenazin-5-yl)phenyl] benzoate.
What is the SMILES notation for [4-(10H-phenazin-5-yl)phenyl] benzoate?
The canonical SMILES for [4-(10H-phenazin-5-yl)phenyl] benzoate is O=C(Oc1ccc(N2c3ccccc3Nc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of [4-(10H-phenazin-5-yl)phenyl] benzoate?
The InChIKey is QUKSYIILNBLGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c28-25(18-8-2-1-3-9-18)29-20-16-14-19(15-17-20)27-23-12-6-4-10-21(23)26-22-11-5-7-13-24(22)27/h1-17,26H.
What are the key properties of [4-(10H-phenazin-5-yl)phenyl] benzoate?
[4-(10H-phenazin-5-yl)phenyl] benzoate has a molecular weight of 378.43 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(10H-phenazin-5-yl)phenyl] benzoate is sourced from PubChem (CID 163913740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).