3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one

C33H20F3NO — CID 139232865

IUPAC3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccccc2)[nH]c2c(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C33H20F3NO/c34-25-12-6-20(7-13-25)24-18-28(21-8-14-26(35)15-9-21)32-29(19-24)33(38)30(22-10-16-27(36)17-11-22)31(37-32)23-4-2-1-3-5-23/h1-19H,(H,37,38)
InChIKeyTXVCKUAIUNZCNW-UHFFFAOYSA-N
MW503.52 g/mol
LogP8.61
Rot. Bonds4

About 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one

3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one (PubChem CID 139232865) has the molecular formula C33H20F3NO and a molecular weight of 503.52 g/mol. Its IUPAC name is 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one
PubChem CID139232865
Molecular FormulaC33H20F3NO
Molecular Weight503.52 g/mol
Exact Mass503.15
IUPAC Name3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccccc2)[nH]c2c(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C33H20F3NO/c34-25-12-6-20(7-13-25)24-18-28(21-8-14-26(35)15-9-21)32-29(19-24)33(38)30(22-10-16-27(36)17-11-22)31(37-32)23-4-2-1-3-5-23/h1-19H,(H,37,38)
InChIKeyTXVCKUAIUNZCNW-UHFFFAOYSA-N
XLogP8.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one (CID 139232865) is 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one is O=c1c(-c2ccc(F)cc2)c(-c2ccccc2)[nH]c2c(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one?
The InChIKey is TXVCKUAIUNZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F3NO/c34-25-12-6-20(7-13-25)24-18-28(21-8-14-26(35)15-9-21)32-29(19-24)33(38)30(22-10-16-27(36)17-11-22)31(37-32)23-4-2-1-3-5-23/h1-19H,(H,37,38).
What are the key properties of 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one?
3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one has a molecular weight of 503.52 g/mol, XLogP of 8.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-tris(4-fluorophenyl)-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 139232865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).