2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine

C33H29FN2 — CID 155908918

IUPAC2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine
SMILESCc1cccnc1-c1cc(-c2ccccc2)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C33H29FN2/c1-22-9-8-18-35-32(22)30-19-24(23-10-6-5-7-11-23)12-15-28(30)27-16-13-25(33(2,3)4)20-29(27)31-17-14-26(34)21-36-31/h5-21H,1-4H3
InChIKeyABAPNKPDDQPHOO-UHFFFAOYSA-N
MW472.61 g/mol
LogP8.89
Rot. Bonds4

About 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine

2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine (PubChem CID 155908918) has the molecular formula C33H29FN2 and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine
PubChem CID155908918
Molecular FormulaC33H29FN2
Molecular Weight472.61 g/mol
Exact Mass472.23
IUPAC Name2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine
SMILESCc1cccnc1-c1cc(-c2ccccc2)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C33H29FN2/c1-22-9-8-18-35-32(22)30-19-24(23-10-6-5-7-11-23)12-15-28(30)27-16-13-25(33(2,3)4)20-29(27)31-17-14-26(34)21-36-31/h5-21H,1-4H3
InChIKeyABAPNKPDDQPHOO-UHFFFAOYSA-N
XLogP8.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19861
BC-1215
CID 72201045
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3-(3-Benzylnaphthalen-2-yl)pyridine
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5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646612
1-(2-(1-Benzylpiperidin-4-yl)ethyl)isoquinoline
CID 9996767
2-(4-tert-Butylphenyl)pyridine
CID 12984537
4,4'-Di-tert-butyl-2,2'-bipyridyl
CID 4249187
4-[6-(3,4-Difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033658

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine?
The IUPAC name of 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine (CID 155908918) is 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine?
The canonical SMILES for 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine is Cc1cccnc1-c1cc(-c2ccccc2)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1.
What is the InChIKey of 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine?
The InChIKey is ABAPNKPDDQPHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN2/c1-22-9-8-18-35-32(22)30-19-24(23-10-6-5-7-11-23)12-15-28(30)27-16-13-25(33(2,3)4)20-29(27)31-17-14-26(34)21-36-31/h5-21H,1-4H3.
What are the key properties of 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine?
2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine has a molecular weight of 472.61 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-5-phenylphenyl]-3-methylpyridine is sourced from PubChem (CID 155908918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).