2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one

C25H19NO — CID 4177908

IUPAC2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one
SMILESO=C1c2c(cc3ccccc3c2-c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C25H19NO/c27-25-24-21(17-26(25)16-18-9-3-1-4-10-18)15-20-13-7-8-14-22(20)23(24)19-11-5-2-6-12-19/h1-15H,16-17H2
InChIKeyKCIFSGTXEPAHQS-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.66
Rot. Bonds3

About 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one

2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one (PubChem CID 4177908) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one.

Molecular Properties

Compound Name2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one
PubChem CID4177908
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one
SMILESO=C1c2c(cc3ccccc3c2-c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C25H19NO/c27-25-24-21(17-26(25)16-18-9-3-1-4-10-18)15-20-13-7-8-14-22(20)23(24)19-11-5-2-6-12-19/h1-15H,16-17H2
InChIKeyKCIFSGTXEPAHQS-UHFFFAOYSA-N
XLogP5.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one?
The IUPAC name of 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one (CID 4177908) is 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one.
What is the SMILES notation for 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one?
The canonical SMILES for 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one is O=C1c2c(cc3ccccc3c2-c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one?
The InChIKey is KCIFSGTXEPAHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c27-25-24-21(17-26(25)16-18-9-3-1-4-10-18)15-20-13-7-8-14-22(20)23(24)19-11-5-2-6-12-19/h1-15H,16-17H2.
What are the key properties of 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one?
2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one has a molecular weight of 349.43 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one is sourced from PubChem (CID 4177908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).