phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone

C30H21NO — CID 122372233

IUPACphenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H21NO/c32-30(25-19-11-4-12-20-25)28-27(23-15-7-2-8-16-23)26(22-13-5-1-6-14-22)21-31-29(28)24-17-9-3-10-18-24/h1-21H
InChIKeyZJFGGZJGELFJJN-UHFFFAOYSA-N
MW411.50 g/mol
LogP7.31
Rot. Bonds5

About phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone

phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone (PubChem CID 122372233) has the molecular formula C30H21NO and a molecular weight of 411.50 g/mol. Its IUPAC name is phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Namephenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
PubChem CID122372233
Molecular FormulaC30H21NO
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC Namephenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H21NO/c32-30(25-19-11-4-12-20-25)28-27(23-15-7-2-8-16-23)26(22-13-5-1-6-14-22)21-31-29(28)24-17-9-3-10-18-24/h1-21H
InChIKeyZJFGGZJGELFJJN-UHFFFAOYSA-N
XLogP7.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone
CID 122372234
4,5-diphenylpyridine-2,3-dicarboxylic acid
CID 151906058
(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone
CID 132560330
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone
CID 10571236
phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone
CID 172846091
1,4,5,8-tetraphenyl-2,6-naphthyridine
CID 13154164
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
3,4-diphenyl-5H-indeno[1,2-b]pyridine
CID 71411540
(2,4,5-triphenyl-3-pyridinyl)methylphosphane
CID 22285181
(2,3,5-triphenyl-4-pyridinyl)methylphosphane
CID 67416483

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone?
The IUPAC name of phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone (CID 122372233) is phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone.
What is the SMILES notation for phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone?
The canonical SMILES for phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone is O=C(c1ccccc1)c1c(-c2ccccc2)ncc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone?
The InChIKey is ZJFGGZJGELFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO/c32-30(25-19-11-4-12-20-25)28-27(23-15-7-2-8-16-23)26(22-13-5-1-6-14-22)21-31-29(28)24-17-9-3-10-18-24/h1-21H.
What are the key properties of phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone?
phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone has a molecular weight of 411.50 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone is sourced from PubChem (CID 122372233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).