(6-phenylbenzo[a]phenazin-5-yl) acetate

C24H16N2O2 — CID 2860530

IUPAC(6-phenylbenzo[a]phenazin-5-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc12
InChIInChI=1S/C24H16N2O2/c1-15(27)28-24-18-12-6-5-11-17(18)22-23(21(24)16-9-3-2-4-10-16)26-20-14-8-7-13-19(20)25-22/h2-14H,1H3
InChIKeyOUVCHRSLUIASEL-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.53
Rot. Bonds2

About (6-phenylbenzo[a]phenazin-5-yl) acetate

(6-phenylbenzo[a]phenazin-5-yl) acetate (PubChem CID 2860530) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is (6-phenylbenzo[a]phenazin-5-yl) acetate.

Molecular Properties

Compound Name(6-phenylbenzo[a]phenazin-5-yl) acetate
PubChem CID2860530
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name(6-phenylbenzo[a]phenazin-5-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc12
InChIInChI=1S/C24H16N2O2/c1-15(27)28-24-18-12-6-5-11-17(18)22-23(21(24)16-9-3-2-4-10-16)26-20-14-8-7-13-19(20)25-22/h2-14H,1H3
InChIKeyOUVCHRSLUIASEL-UHFFFAOYSA-N
XLogP5.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 1983598
CID 1983598
CID 1829912
CID 1829912
CID 166635790
CID 166635790
CID 1976384
CID 1976384
CID 11404249
CID 11404249
CID 137645239
CID 137645239
CID 10092021
CID 10092021
CID 44270076
CID 44270076
CID 44270099
CID 44270099
CID 44270149
CID 44270149
CID 134156187
CID 134156187
CID 136068712
CID 136068712

Frequently Asked Questions

What is the IUPAC name of (6-phenylbenzo[a]phenazin-5-yl) acetate?
The IUPAC name of (6-phenylbenzo[a]phenazin-5-yl) acetate (CID 2860530) is (6-phenylbenzo[a]phenazin-5-yl) acetate.
What is the SMILES notation for (6-phenylbenzo[a]phenazin-5-yl) acetate?
The canonical SMILES for (6-phenylbenzo[a]phenazin-5-yl) acetate is CC(=O)Oc1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc12.
What is the InChIKey of (6-phenylbenzo[a]phenazin-5-yl) acetate?
The InChIKey is OUVCHRSLUIASEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c1-15(27)28-24-18-12-6-5-11-17(18)22-23(21(24)16-9-3-2-4-10-16)26-20-14-8-7-13-19(20)25-22/h2-14H,1H3.
What are the key properties of (6-phenylbenzo[a]phenazin-5-yl) acetate?
(6-phenylbenzo[a]phenazin-5-yl) acetate has a molecular weight of 364.40 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylbenzo[a]phenazin-5-yl) acetate is sourced from PubChem (CID 2860530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).