4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine

C24H25N — CID 129075043

IUPAC4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine
SMILESc1ccc(-c2cc(-c3ccc(CC4CCCCC4)cc3)ccn2)cc1
InChIInChI=1S/C24H25N/c1-3-7-19(8-4-1)17-20-11-13-21(14-12-20)23-15-16-25-24(18-23)22-9-5-2-6-10-22/h2,5-6,9-16,18-19H,1,3-4,7-8,17H2
InChIKeySQTOFESOYQRSCU-UHFFFAOYSA-N
MW327.47 g/mol
LogP6.54
Rot. Bonds4

About 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine

4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine (PubChem CID 129075043) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine
PubChem CID129075043
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine
SMILESc1ccc(-c2cc(-c3ccc(CC4CCCCC4)cc3)ccn2)cc1
InChIInChI=1S/C24H25N/c1-3-7-19(8-4-1)17-20-11-13-21(14-12-20)23-15-16-25-24(18-23)22-9-5-2-6-10-22/h2,5-6,9-16,18-19H,1,3-4,7-8,17H2
InChIKeySQTOFESOYQRSCU-UHFFFAOYSA-N
XLogP6.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine (CID 129075043) is 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine is c1ccc(-c2cc(-c3ccc(CC4CCCCC4)cc3)ccn2)cc1.
What is the InChIKey of 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine?
The InChIKey is SQTOFESOYQRSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-3-7-19(8-4-1)17-20-11-13-21(14-12-20)23-15-16-25-24(18-23)22-9-5-2-6-10-22/h2,5-6,9-16,18-19H,1,3-4,7-8,17H2.
What are the key properties of 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine?
4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine has a molecular weight of 327.47 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 129075043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).