[6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone

C37H24FN3O3 — CID 58107006

IUPAC[6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(C(F)(c2cccc(C(=O)c3ccccc3)n2)c2cccc(C(=O)c3ccccc3)n2)n1
InChIInChI=1S/C37H24FN3O3/c38-37(31-22-10-19-28(39-31)34(42)25-13-4-1-5-14-25,32-23-11-20-29(40-32)35(43)26-15-6-2-7-16-26)33-24-12-21-30(41-33)36(44)27-17-8-3-9-18-27/h1-24H
InChIKeyNDVYBKLAXXORDO-UHFFFAOYSA-N
MW577.62 g/mol
LogP6.83
Rot. Bonds9

About [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone

[6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone (PubChem CID 58107006) has the molecular formula C37H24FN3O3 and a molecular weight of 577.62 g/mol. Its IUPAC name is [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone
PubChem CID58107006
Molecular FormulaC37H24FN3O3
Molecular Weight577.62 g/mol
Exact Mass577.18
IUPAC Name[6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(C(F)(c2cccc(C(=O)c3ccccc3)n2)c2cccc(C(=O)c3ccccc3)n2)n1
InChIInChI=1S/C37H24FN3O3/c38-37(31-22-10-19-28(39-31)34(42)25-13-4-1-5-14-25,32-23-11-20-29(40-32)35(43)26-15-6-2-7-16-26)33-24-12-21-30(41-33)36(44)27-17-8-3-9-18-27/h1-24H
InChIKeyNDVYBKLAXXORDO-UHFFFAOYSA-N
XLogP6.83
TPSA89.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.62
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone?
The IUPAC name of [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone (CID 58107006) is [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone.
What is the SMILES notation for [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone?
The canonical SMILES for [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(C(F)(c2cccc(C(=O)c3ccccc3)n2)c2cccc(C(=O)c3ccccc3)n2)n1.
What is the InChIKey of [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone?
The InChIKey is NDVYBKLAXXORDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24FN3O3/c38-37(31-22-10-19-28(39-31)34(42)25-13-4-1-5-14-25,32-23-11-20-29(40-32)35(43)26-15-6-2-7-16-26)33-24-12-21-30(41-33)36(44)27-17-8-3-9-18-27/h1-24H.
What are the key properties of [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone?
[6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone has a molecular weight of 577.62 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[bis(6-benzoyl-2-pyridinyl)-fluoromethyl]-2-pyridinyl]-phenylmethanone is sourced from PubChem (CID 58107006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).