4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine

C27H27N — CID 159088701

IUPAC4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine
SMILES[2H]C1(c2ccccc2)C2CC3CC1CC(C2)C3([2H])c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C27H27N/c1-3-7-18(8-4-1)25-17-20(11-12-28-25)27-23-13-21-14-24(27)16-22(15-23)26(21)19-9-5-2-6-10-19/h1-12,17,21-24,26-27H,13-16H2/i26D,27D
InChIKeyYRIHFENHGPMGKA-FOXYNOLNSA-N
MW367.53 g/mol
LogP6.68
Rot. Bonds3

About 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine

4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine (PubChem CID 159088701) has the molecular formula C27H27N and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine.

Molecular Properties

Compound Name4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine
PubChem CID159088701
Molecular FormulaC27H27N
Molecular Weight367.53 g/mol
Exact Mass367.23
IUPAC Name4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine
SMILES[2H]C1(c2ccccc2)C2CC3CC1CC(C2)C3([2H])c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C27H27N/c1-3-7-18(8-4-1)25-17-20(11-12-28-25)27-23-13-21-14-24(27)16-22(15-23)26(21)19-9-5-2-6-10-19/h1-12,17,21-24,26-27H,13-16H2/i26D,27D
InChIKeyYRIHFENHGPMGKA-FOXYNOLNSA-N
XLogP6.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
CID 166564130
4-[3-(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
CID 129074799
4-[4-(2-deuterio-2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylpyridine
CID 166503402
4-(3-cyclohexylphenyl)-2-phenylpyridine
CID 129074802
dimethyl-phenyl-(2-phenyl-4-pyridinyl)silane
CID 140629348
4-[2,6-dideuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine
CID 169300864
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863538
2-phenylpyridine-4-carbonyl chloride
CID 139270869
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
CID 88908907
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
dimethyl-phenyl-(2-phenyl-4-pyridinyl)germane
CID 140726208

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine?
The IUPAC name of 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine (CID 159088701) is 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine.
What is the SMILES notation for 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine?
The canonical SMILES for 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine is [2H]C1(c2ccccc2)C2CC3CC1CC(C2)C3([2H])c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine?
The InChIKey is YRIHFENHGPMGKA-FOXYNOLNSA-N. The full InChI is InChI=1S/C27H27N/c1-3-7-18(8-4-1)25-17-20(11-12-28-25)27-23-13-21-14-24(27)16-22(15-23)26(21)19-9-5-2-6-10-19/h1-12,17,21-24,26-27H,13-16H2/i26D,27D.
What are the key properties of 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine?
4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine has a molecular weight of 367.53 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dideuterio-6-phenyl-2-adamantyl)-2-phenylpyridine is sourced from PubChem (CID 159088701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).