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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Related Compounds

4-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-2-phenylpyridine;4-[4-(1-deuteriocyclohexyl)phenyl]-2-phenylpyridine;pentakis(iridium(3+));tris(2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine);2-[3-[4-(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(4-(4-methylphenyl)-2-phenylpyridine);2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;pentakis(2-phenylpyridine)
CID 161113243
4-[4-(1-deuteriocyclohexyl)phenyl]-2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 169048526
4-(6-methylnaphthalen-2-yl)-2-(2-methylphenyl)pyridine
CID 140825758
4-cyclopropyl-2-(2-methyl-5-phenylphenyl)pyridine
CID 129076459
5-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 159678541
2-[4-[2-[3-[2-[4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2-pyridinyl]phenyl]phenyl]-5-methylphenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 169048594
4-(2-methylphenyl)-2-phenylpyridine
CID 58435073
2-[4-[2-[3-[2-[4-[4-[4-(1-deuteriocyclohexyl)phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-methylphenyl]ethyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium
CID 169048602
5-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[3-(1-deuteriocyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 160511733
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
2-(2,4-dimethylphenyl)-4-phenylpyridine
CID 166502806
4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
CID 166564130

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).