1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione

C29H20F3NO3 — CID 52941695

IUPAC1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C29H20F3NO3/c30-29(31,32)23-8-4-5-20(15-23)18-36-24-13-14-26-25(16-24)27(34)28(35)33(26)17-19-9-11-22(12-10-19)21-6-2-1-3-7-21/h1-16H,17-18H2
InChIKeyOEYYKPZUVKQVLJ-UHFFFAOYSA-N
MW487.48 g/mol
LogP6.68
Rot. Bonds6

About 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione

1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione (PubChem CID 52941695) has the molecular formula C29H20F3NO3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione
PubChem CID52941695
Molecular FormulaC29H20F3NO3
Molecular Weight487.48 g/mol
Exact Mass487.14
IUPAC Name1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C29H20F3NO3/c30-29(31,32)23-8-4-5-20(15-23)18-36-24-13-14-26-25(16-24)27(34)28(35)33(26)17-19-9-11-22(12-10-19)21-6-2-1-3-7-21/h1-16H,17-18H2
InChIKeyOEYYKPZUVKQVLJ-UHFFFAOYSA-N
XLogP6.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione (CID 52941695) is 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione?
The InChIKey is OEYYKPZUVKQVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F3NO3/c30-29(31,32)23-8-4-5-20(15-23)18-36-24-13-14-26-25(16-24)27(34)28(35)33(26)17-19-9-11-22(12-10-19)21-6-2-1-3-7-21/h1-16H,17-18H2.
What are the key properties of 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione?
1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione has a molecular weight of 487.48 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2,3-dione is sourced from PubChem (CID 52941695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).