phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone

C27H23NO — CID 59538560

IUPACphenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone
SMILESCCCc1ccc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C27H23NO/c1-2-6-20-9-11-22(12-10-20)26-18-17-25(19-28-26)21-13-15-24(16-14-21)27(29)23-7-4-3-5-8-23/h3-5,7-19H,2,6H2,1H3
InChIKeyMVSNCSUCMWZVIG-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.60
Rot. Bonds6

About phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone

phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone (PubChem CID 59538560) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone
PubChem CID59538560
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Namephenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone
SMILESCCCc1ccc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C27H23NO/c1-2-6-20-9-11-22(12-10-20)26-18-17-25(19-28-26)21-13-15-24(16-14-21)27(29)23-7-4-3-5-8-23/h3-5,7-19H,2,6H2,1H3
InChIKeyMVSNCSUCMWZVIG-UHFFFAOYSA-N
XLogP6.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone?
The IUPAC name of phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone (CID 59538560) is phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone is CCCc1ccc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cn2)cc1.
What is the InChIKey of phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone?
The InChIKey is MVSNCSUCMWZVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-2-6-20-9-11-22(12-10-20)26-18-17-25(19-28-26)21-13-15-24(16-14-21)27(29)23-7-4-3-5-8-23/h3-5,7-19H,2,6H2,1H3.
What are the key properties of phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone?
phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone has a molecular weight of 377.49 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone is sourced from PubChem (CID 59538560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).