4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine

C30H29N — CID 140825856

IUPAC4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine
SMILES[2H]C1(c2ccc(-c3ccc(-c4ccnc(-c5ccccc5C)c4)cc3)cc2)CCCCC1
InChIInChI=1S/C30H29N/c1-22-7-5-6-10-29(22)30-21-28(19-20-31-30)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h5-7,10-21,23H,2-4,8-9H2,1H3/i23D
InChIKeyCXUARDQJIXIPJJ-WBQFYUNPSA-N
MW404.58 g/mol
LogP8.44
Rot. Bonds4

About 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine

4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine (PubChem CID 140825856) has the molecular formula C30H29N and a molecular weight of 404.58 g/mol. Its IUPAC name is 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine.

Molecular Properties

Compound Name4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine
PubChem CID140825856
Molecular FormulaC30H29N
Molecular Weight404.58 g/mol
Exact Mass404.24
IUPAC Name4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine
SMILES[2H]C1(c2ccc(-c3ccc(-c4ccnc(-c5ccccc5C)c4)cc3)cc2)CCCCC1
InChIInChI=1S/C30H29N/c1-22-7-5-6-10-29(22)30-21-28(19-20-31-30)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h5-7,10-21,23H,2-4,8-9H2,1H3/i23D
InChIKeyCXUARDQJIXIPJJ-WBQFYUNPSA-N
XLogP8.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine?
The IUPAC name of 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine (CID 140825856) is 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine.
What is the SMILES notation for 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine?
The canonical SMILES for 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine is [2H]C1(c2ccc(-c3ccc(-c4ccnc(-c5ccccc5C)c4)cc3)cc2)CCCCC1.
What is the InChIKey of 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine?
The InChIKey is CXUARDQJIXIPJJ-WBQFYUNPSA-N. The full InChI is InChI=1S/C30H29N/c1-22-7-5-6-10-29(22)30-21-28(19-20-31-30)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h5-7,10-21,23H,2-4,8-9H2,1H3/i23D.
What are the key properties of 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine?
4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine has a molecular weight of 404.58 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-(2-methylphenyl)pyridine is sourced from PubChem (CID 140825856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).