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

C31H32F2N2 — CID 155908954

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c1F
InChIInChI=1S/C31H32F2N2/c1-19-14-15-34-29(28(19)33)26-17-21(31(5,6)7)9-12-24(26)23-11-8-20(30(2,3)4)16-25(23)27-13-10-22(32)18-35-27/h8-18H,1-7H3
InChIKeyMTFSEQNUYGUTEH-UHFFFAOYSA-N
MW470.61 g/mol
LogP8.66
Rot. Bonds3

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

2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine (PubChem CID 155908954) has the molecular formula C31H32F2N2 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine
PubChem CID155908954
Molecular FormulaC31H32F2N2
Molecular Weight470.61 g/mol
Exact Mass470.25
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c1F
InChIInChI=1S/C31H32F2N2/c1-19-14-15-34-29(28(19)33)26-17-21(31(5,6)7)9-12-24(26)23-11-8-20(30(2,3)4)16-25(23)27-13-10-22(32)18-35-27/h8-18H,1-7H3
InChIKeyMTFSEQNUYGUTEH-UHFFFAOYSA-N
XLogP8.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 58.66
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
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-fluoropyridin-4-yl)pyridazine
CID 11653463
1-(2-(1-Benzylpiperidin-4-yl)ethyl)isoquinoline
CID 9996767
2-(4-tert-Butylphenyl)pyridine
CID 12984537

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine (CID 155908954) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine is Cc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c1F.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
The InChIKey is MTFSEQNUYGUTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N2/c1-19-14-15-34-29(28(19)33)26-17-21(31(5,6)7)9-12-24(26)23-11-8-20(30(2,3)4)16-25(23)27-13-10-22(32)18-35-27/h8-18H,1-7H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine has a molecular weight of 470.61 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine is sourced from PubChem (CID 155908954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).