8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione

C25H18N2O3 — CID 53361725

IUPAC8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESO=C1CCCc2nc(-c3ccccc3)c3c(c21)C(=O)C=C(Nc1ccccc1)C3=O
InChIInChI=1S/C25H18N2O3/c28-19-13-7-12-17-21(19)22-20(29)14-18(26-16-10-5-2-6-11-16)25(30)23(22)24(27-17)15-8-3-1-4-9-15/h1-6,8-11,14,26H,7,12-13H2
InChIKeyREGAJZMNJANXJY-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.64
Rot. Bonds3

About 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione

8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (PubChem CID 53361725) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.

Molecular Properties

Compound Name8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
PubChem CID53361725
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESO=C1CCCc2nc(-c3ccccc3)c3c(c21)C(=O)C=C(Nc1ccccc1)C3=O
InChIInChI=1S/C25H18N2O3/c28-19-13-7-12-17-21(19)22-20(29)14-18(26-16-10-5-2-6-11-16)25(30)23(22)24(27-17)15-8-3-1-4-9-15/h1-6,8-11,14,26H,7,12-13H2
InChIKeyREGAJZMNJANXJY-UHFFFAOYSA-N
XLogP4.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The IUPAC name of 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (CID 53361725) is 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.
What is the SMILES notation for 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The canonical SMILES for 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is O=C1CCCc2nc(-c3ccccc3)c3c(c21)C(=O)C=C(Nc1ccccc1)C3=O.
What is the InChIKey of 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The InChIKey is REGAJZMNJANXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c28-19-13-7-12-17-21(19)22-20(29)14-18(26-16-10-5-2-6-11-16)25(30)23(22)24(27-17)15-8-3-1-4-9-15/h1-6,8-11,14,26H,7,12-13H2.
What are the key properties of 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione has a molecular weight of 394.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is sourced from PubChem (CID 53361725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).