bis(3,5-dipyridin-4-ylphenyl)methanone

C33H22N4O — CID 58240129

IUPACbis(3,5-dipyridin-4-ylphenyl)methanone
SMILESO=C(c1cc(-c2ccncc2)cc(-c2ccncc2)c1)c1cc(-c2ccncc2)cc(-c2ccncc2)c1
InChIInChI=1S/C33H22N4O/c38-33(31-19-27(23-1-9-34-10-2-23)17-28(20-31)24-3-11-35-12-4-24)32-21-29(25-5-13-36-14-6-25)18-30(22-32)26-7-15-37-16-8-26/h1-22H
InChIKeyLZGCPZWXQRCESV-UHFFFAOYSA-N
MW490.57 g/mol
LogP7.17
Rot. Bonds6

About bis(3,5-dipyridin-4-ylphenyl)methanone

bis(3,5-dipyridin-4-ylphenyl)methanone (PubChem CID 58240129) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is bis(3,5-dipyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Namebis(3,5-dipyridin-4-ylphenyl)methanone
PubChem CID58240129
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Namebis(3,5-dipyridin-4-ylphenyl)methanone
SMILESO=C(c1cc(-c2ccncc2)cc(-c2ccncc2)c1)c1cc(-c2ccncc2)cc(-c2ccncc2)c1
InChIInChI=1S/C33H22N4O/c38-33(31-19-27(23-1-9-34-10-2-23)17-28(20-31)24-3-11-35-12-4-24)32-21-29(25-5-13-36-14-6-25)18-30(22-32)26-7-15-37-16-8-26/h1-22H
InChIKeyLZGCPZWXQRCESV-UHFFFAOYSA-N
XLogP7.17
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone
CID 656732
Dmp-543
CID 9887884
1,5-Diphenyl-3-(pyridin-4-yl)pentane-1,5-dione
CID 219448
10-[(2-Fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one
CID 10644338
1-(Naphthalen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 14434140
(E)-1-naphthalen-2-yl-3-pyridin-4-ylprop-2-en-1-one
CID 15252040
(2E)-1-([1,1'-Biphenyl]-4-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 24233261
1-(Naphthalen-1-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 40700807
3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide
CID 66829396
(E)-1-phenanthren-9-yl-3-pyridin-3-ylprop-2-en-1-one
CID 118491075
(E)-1-phenanthren-3-yl-3-pyridin-3-ylprop-2-en-1-one
CID 118492166
1-(3-(Pyridin-4-yl)phenyl)ethan-1-one
CID 11321536

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dipyridin-4-ylphenyl)methanone?
The IUPAC name of bis(3,5-dipyridin-4-ylphenyl)methanone (CID 58240129) is bis(3,5-dipyridin-4-ylphenyl)methanone.
What is the SMILES notation for bis(3,5-dipyridin-4-ylphenyl)methanone?
The canonical SMILES for bis(3,5-dipyridin-4-ylphenyl)methanone is O=C(c1cc(-c2ccncc2)cc(-c2ccncc2)c1)c1cc(-c2ccncc2)cc(-c2ccncc2)c1.
What is the InChIKey of bis(3,5-dipyridin-4-ylphenyl)methanone?
The InChIKey is LZGCPZWXQRCESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O/c38-33(31-19-27(23-1-9-34-10-2-23)17-28(20-31)24-3-11-35-12-4-24)32-21-29(25-5-13-36-14-6-25)18-30(22-32)26-7-15-37-16-8-26/h1-22H.
What are the key properties of bis(3,5-dipyridin-4-ylphenyl)methanone?
bis(3,5-dipyridin-4-ylphenyl)methanone has a molecular weight of 490.57 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dipyridin-4-ylphenyl)methanone is sourced from PubChem (CID 58240129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).