2-phenyl-3-phenyliminoinden-1-one

C21H15NO — CID 3732579

IUPAC2-phenyl-3-phenyliminoinden-1-one
SMILESO=C1c2ccccc2/C(=N\c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H15NO/c23-21-18-14-8-7-13-17(18)20(22-16-11-5-2-6-12-16)19(21)15-9-3-1-4-10-15/h1-14,19H/b22-20+
InChIKeyJSDWMVDDZQKWAD-LSDHQDQOSA-N
MW297.36 g/mol
LogP4.79
Rot. Bonds2

About 2-phenyl-3-phenyliminoinden-1-one

2-phenyl-3-phenyliminoinden-1-one (PubChem CID 3732579) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-phenyl-3-phenyliminoinden-1-one.

Molecular Properties

Compound Name2-phenyl-3-phenyliminoinden-1-one
PubChem CID3732579
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name2-phenyl-3-phenyliminoinden-1-one
SMILESO=C1c2ccccc2/C(=N\c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H15NO/c23-21-18-14-8-7-13-17(18)20(22-16-11-5-2-6-12-16)19(21)15-9-3-1-4-10-15/h1-14,19H/b22-20+
InChIKeyJSDWMVDDZQKWAD-LSDHQDQOSA-N
XLogP4.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-phenyliminoinden-1-one?
The IUPAC name of 2-phenyl-3-phenyliminoinden-1-one (CID 3732579) is 2-phenyl-3-phenyliminoinden-1-one.
What is the SMILES notation for 2-phenyl-3-phenyliminoinden-1-one?
The canonical SMILES for 2-phenyl-3-phenyliminoinden-1-one is O=C1c2ccccc2/C(=N\c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-phenyl-3-phenyliminoinden-1-one?
The InChIKey is JSDWMVDDZQKWAD-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H15NO/c23-21-18-14-8-7-13-17(18)20(22-16-11-5-2-6-12-16)19(21)15-9-3-1-4-10-15/h1-14,19H/b22-20+.
What are the key properties of 2-phenyl-3-phenyliminoinden-1-one?
2-phenyl-3-phenyliminoinden-1-one has a molecular weight of 297.36 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-phenyliminoinden-1-one is sourced from PubChem (CID 3732579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).