2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine

C25H27N — CID 67835771

IUPAC2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine
SMILESC1=CC(c2ccccc2)N(CCC2CC=C(c3ccccc3)CC2)C=C1
InChIInChI=1S/C25H27N/c1-3-9-22(10-4-1)23-16-14-21(15-17-23)18-20-26-19-8-7-13-25(26)24-11-5-2-6-12-24/h1-13,16,19,21,25H,14-15,17-18,20H2
InChIKeyFDFCRHNOQGVXSP-UHFFFAOYSA-N
MW341.50 g/mol
LogP6.39
Rot. Bonds5

About 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine

2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine (PubChem CID 67835771) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine.

Molecular Properties

Compound Name2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine
PubChem CID67835771
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine
SMILESC1=CC(c2ccccc2)N(CCC2CC=C(c3ccccc3)CC2)C=C1
InChIInChI=1S/C25H27N/c1-3-9-22(10-4-1)23-16-14-21(15-17-23)18-20-26-19-8-7-13-25(26)24-11-5-2-6-12-24/h1-13,16,19,21,25H,14-15,17-18,20H2
InChIKeyFDFCRHNOQGVXSP-UHFFFAOYSA-N
XLogP6.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine?
The IUPAC name of 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine (CID 67835771) is 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine.
What is the SMILES notation for 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine?
The canonical SMILES for 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine is C1=CC(c2ccccc2)N(CCC2CC=C(c3ccccc3)CC2)C=C1.
What is the InChIKey of 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine?
The InChIKey is FDFCRHNOQGVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-3-9-22(10-4-1)23-16-14-21(15-17-23)18-20-26-19-8-7-13-25(26)24-11-5-2-6-12-24/h1-13,16,19,21,25H,14-15,17-18,20H2.
What are the key properties of 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine?
2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine has a molecular weight of 341.50 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(4-phenylcyclohex-3-en-1-yl)ethyl]-2H-pyridine is sourced from PubChem (CID 67835771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).