3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine

C31H27N3 — CID 135358069

IUPAC3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine
SMILESc1ccc([C@H](Cc2cncc(C[C@@H](c3ccccc3)c3ccccn3)c2)c2ccccn2)cc1
InChIInChI=1S/C31H27N3/c1-3-11-26(12-4-1)28(30-15-7-9-17-33-30)20-24-19-25(23-32-22-24)21-29(27-13-5-2-6-14-27)31-16-8-10-18-34-31/h1-19,22-23,28-29H,20-21H2/t28-,29-/m0/s1
InChIKeyNTXLXBJUHGSQCS-VMPREFPWSA-N
MW441.58 g/mol
LogP6.62
Rot. Bonds8

About 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine

3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine (PubChem CID 135358069) has the molecular formula C31H27N3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine.

Molecular Properties

Compound Name3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine
PubChem CID135358069
Molecular FormulaC31H27N3
Molecular Weight441.58 g/mol
Exact Mass441.22
IUPAC Name3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine
SMILESc1ccc([C@H](Cc2cncc(C[C@@H](c3ccccc3)c3ccccn3)c2)c2ccccn2)cc1
InChIInChI=1S/C31H27N3/c1-3-11-26(12-4-1)28(30-15-7-9-17-33-30)20-24-19-25(23-32-22-24)21-29(27-13-5-2-6-14-27)31-16-8-10-18-34-31/h1-19,22-23,28-29H,20-21H2/t28-,29-/m0/s1
InChIKeyNTXLXBJUHGSQCS-VMPREFPWSA-N
XLogP6.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine
CID 12632116
2-[phenyl(pyridin-2-yl)methyl]pyridine
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dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
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(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
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(2S)-2-phenyl-2-pyrazin-2-ylethanamine
CID 129371603
6-phenyl-6-pyridin-2-ylhexanenitrile
CID 138977587
2-[(1R)-1-bromo-2-phenylethyl]pyridine
CID 124909068
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
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N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine?
The IUPAC name of 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine (CID 135358069) is 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine.
What is the SMILES notation for 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine?
The canonical SMILES for 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine is c1ccc([C@H](Cc2cncc(C[C@@H](c3ccccc3)c3ccccn3)c2)c2ccccn2)cc1.
What is the InChIKey of 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine?
The InChIKey is NTXLXBJUHGSQCS-VMPREFPWSA-N. The full InChI is InChI=1S/C31H27N3/c1-3-11-26(12-4-1)28(30-15-7-9-17-33-30)20-24-19-25(23-32-22-24)21-29(27-13-5-2-6-14-27)31-16-8-10-18-34-31/h1-19,22-23,28-29H,20-21H2/t28-,29-/m0/s1.
What are the key properties of 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine?
3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine has a molecular weight of 441.58 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine is sourced from PubChem (CID 135358069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).