1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione

C32H18N2O4 — CID 59308922

IUPAC1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione
SMILESO=C(C(=O)c1ccc2c(c1)c1cc(C(=O)C(=O)c3ccccc3)ccc1c1nccnc21)c1ccccc1
InChIInChI=1S/C32H18N2O4/c35-29(19-7-3-1-4-8-19)31(37)21-11-13-23-25(17-21)26-18-22(32(38)30(36)20-9-5-2-6-10-20)12-14-24(26)28-27(23)33-15-16-34-28/h1-18H
InChIKeyPGQLPKRBFICASE-UHFFFAOYSA-N
MW494.51 g/mol
LogP6.07
Rot. Bonds6

About 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione

1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione (PubChem CID 59308922) has the molecular formula C32H18N2O4 and a molecular weight of 494.51 g/mol. Its IUPAC name is 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione
PubChem CID59308922
Molecular FormulaC32H18N2O4
Molecular Weight494.51 g/mol
Exact Mass494.13
IUPAC Name1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione
SMILESO=C(C(=O)c1ccc2c(c1)c1cc(C(=O)C(=O)c3ccccc3)ccc1c1nccnc21)c1ccccc1
InChIInChI=1S/C32H18N2O4/c35-29(19-7-3-1-4-8-19)31(37)21-11-13-23-25(17-21)26-18-22(32(38)30(36)20-9-5-2-6-10-20)12-14-24(26)28-27(23)33-15-16-34-28/h1-18H
InChIKeyPGQLPKRBFICASE-UHFFFAOYSA-N
XLogP6.07
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione (CID 59308922) is 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione is O=C(C(=O)c1ccc2c(c1)c1cc(C(=O)C(=O)c3ccccc3)ccc1c1nccnc21)c1ccccc1.
What is the InChIKey of 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione?
The InChIKey is PGQLPKRBFICASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2O4/c35-29(19-7-3-1-4-8-19)31(37)21-11-13-23-25(17-21)26-18-22(32(38)30(36)20-9-5-2-6-10-20)12-14-24(26)28-27(23)33-15-16-34-28/h1-18H.
What are the key properties of 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione?
1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione has a molecular weight of 494.51 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 59308922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).