10-phenyliminoanthracen-9-one

C20H13NO — CID 13061002

IUPAC10-phenyliminoanthracen-9-one
SMILESO=C1c2ccccc2C(=Nc2ccccc2)c2ccccc21
InChIInChI=1S/C20H13NO/c22-20-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)20)21-14-8-2-1-3-9-14/h1-13H
InChIKeyMPBPNPFTFUGSGC-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.40
Rot. Bonds1

About 10-phenyliminoanthracen-9-one

10-phenyliminoanthracen-9-one (PubChem CID 13061002) has the molecular formula C20H13NO and a molecular weight of 283.33 g/mol. Its IUPAC name is 10-phenyliminoanthracen-9-one.

Molecular Properties

Compound Name10-phenyliminoanthracen-9-one
PubChem CID13061002
Molecular FormulaC20H13NO
Molecular Weight283.33 g/mol
Exact Mass283.10
IUPAC Name10-phenyliminoanthracen-9-one
SMILESO=C1c2ccccc2C(=Nc2ccccc2)c2ccccc21
InChIInChI=1S/C20H13NO/c22-20-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)20)21-14-8-2-1-3-9-14/h1-13H
InChIKeyMPBPNPFTFUGSGC-UHFFFAOYSA-N
XLogP4.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 10-phenyliminoanthracen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-phenyliminoanthracen-9-one?
The IUPAC name of 10-phenyliminoanthracen-9-one (CID 13061002) is 10-phenyliminoanthracen-9-one.
What is the SMILES notation for 10-phenyliminoanthracen-9-one?
The canonical SMILES for 10-phenyliminoanthracen-9-one is O=C1c2ccccc2C(=Nc2ccccc2)c2ccccc21.
What is the InChIKey of 10-phenyliminoanthracen-9-one?
The InChIKey is MPBPNPFTFUGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO/c22-20-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)20)21-14-8-2-1-3-9-14/h1-13H.
What are the key properties of 10-phenyliminoanthracen-9-one?
10-phenyliminoanthracen-9-one has a molecular weight of 283.33 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyliminoanthracen-9-one is sourced from PubChem (CID 13061002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).