2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine

C33H30N2 — CID 165166774

IUPAC2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(C(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C33H30N2/c1-33(2,3)29-18-16-24(17-19-29)32(27-12-8-10-25(22-27)30-14-4-6-20-34-30)28-13-9-11-26(23-28)31-15-5-7-21-35-31/h4-23,32H,1-3H3
InChIKeyKGADSALZEOAZLF-UHFFFAOYSA-N
MW454.62 g/mol
LogP8.29
Rot. Bonds5

About 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine

2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine (PubChem CID 165166774) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine
PubChem CID165166774
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(C(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C33H30N2/c1-33(2,3)29-18-16-24(17-19-29)32(27-12-8-10-25(22-27)30-14-4-6-20-34-30)28-13-9-11-26(23-28)31-15-5-7-21-35-31/h4-23,32H,1-3H3
InChIKeyKGADSALZEOAZLF-UHFFFAOYSA-N
XLogP8.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[3-[phenyl(pyridin-2-yl)methyl]phenyl]pyridine
CID 146224739
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
CID 140586014
N-ethyl-1-(3-pyridin-2-ylphenyl)propan-1-amine
CID 63678693
2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 140720976
2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide
CID 159719574
2-(3-octan-2-ylphenyl)pyridine
CID 76764597
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine?
The IUPAC name of 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine (CID 165166774) is 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine is CC(C)(C)c1ccc(C(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine?
The InChIKey is KGADSALZEOAZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2/c1-33(2,3)29-18-16-24(17-19-29)32(27-12-8-10-25(22-27)30-14-4-6-20-34-30)28-13-9-11-26(23-28)31-15-5-7-21-35-31/h4-23,32H,1-3H3.
What are the key properties of 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine?
2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine has a molecular weight of 454.62 g/mol, XLogP of 8.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-tert-butylphenyl)-(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine is sourced from PubChem (CID 165166774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).