2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine

C48H43F3N4 — CID 59609410

IUPAC2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ncccc3C(C)(C)C)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ncccc2C(C)(C)C)n1
InChIInChI=1S/C48H43F3N4/c1-30-16-8-9-17-31(30)33-28-36(41-23-13-25-43(55-41)45-39(47(5,6)7)21-15-27-53-45)34(32-18-10-11-19-37(32)48(49,50)51)29-35(33)40-22-12-24-42(54-40)44-38(46(2,3)4)20-14-26-52-44/h8-29H,1-7H3
InChIKeyBXBBEKBSBASSDE-UHFFFAOYSA-N
MW732.89 g/mol
LogP13.19
Rot. Bonds6

About 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine

2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine (PubChem CID 59609410) has the molecular formula C48H43F3N4 and a molecular weight of 732.89 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
PubChem CID59609410
Molecular FormulaC48H43F3N4
Molecular Weight732.89 g/mol
Exact Mass732.34
IUPAC Name2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ncccc3C(C)(C)C)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ncccc2C(C)(C)C)n1
InChIInChI=1S/C48H43F3N4/c1-30-16-8-9-17-31(30)33-28-36(41-23-13-25-43(55-41)45-39(47(5,6)7)21-15-27-53-45)34(32-18-10-11-19-37(32)48(49,50)51)29-35(33)40-22-12-24-42(54-40)44-38(46(2,3)4)20-14-26-52-44/h8-29H,1-7H3
InChIKeyBXBBEKBSBASSDE-UHFFFAOYSA-N
XLogP13.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.89
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine with MolForge

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Related Compounds

CID 11438308
CID 11438308
CID 9972674
CID 9972674
CID 44158944
CID 44158944
CID 44159304
CID 44159304
CID 44159419
CID 44159419
CID 44159538
CID 44159538
CID 66829417
CID 66829417
CID 10079224
CID 10079224
CID 146114
CID 146114
CID 4229824
CID 4229824
CID 157284
CID 157284
CID 3951536
CID 3951536

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine (CID 59609410) is 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine is Cc1ccccc1-c1cc(-c2cccc(-c3ncccc3C(C)(C)C)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ncccc2C(C)(C)C)n1.
What is the InChIKey of 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The InChIKey is BXBBEKBSBASSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43F3N4/c1-30-16-8-9-17-31(30)33-28-36(41-23-13-25-43(55-41)45-39(47(5,6)7)21-15-27-53-45)34(32-18-10-11-19-37(32)48(49,50)51)29-35(33)40-22-12-24-42(54-40)44-38(46(2,3)4)20-14-26-52-44/h8-29H,1-7H3.
What are the key properties of 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine?
2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine has a molecular weight of 732.89 g/mol, XLogP of 13.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 59609410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).