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

C37H36F2N2 — CID 155908927

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(-c3ccccc3)c(C(C)(C)C)cc2-c2ccc(F)cn2)c1F
InChIInChI=1S/C37H36F2N2/c1-23-17-18-40-35(34(23)39)31-19-25(36(2,3)4)13-15-27(31)29-20-28(24-11-9-8-10-12-24)32(37(5,6)7)21-30(29)33-16-14-26(38)22-41-33/h8-22H,1-7H3
InChIKeyGJTLGPLAEFGTPN-UHFFFAOYSA-N
MW546.71 g/mol
LogP10.33
Rot. Bonds4

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

2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine (PubChem CID 155908927) has the molecular formula C37H36F2N2 and a molecular weight of 546.71 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine
PubChem CID155908927
Molecular FormulaC37H36F2N2
Molecular Weight546.71 g/mol
Exact Mass546.28
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(-c3ccccc3)c(C(C)(C)C)cc2-c2ccc(F)cn2)c1F
InChIInChI=1S/C37H36F2N2/c1-23-17-18-40-35(34(23)39)31-19-25(36(2,3)4)13-15-27(31)29-20-28(24-11-9-8-10-12-24)32(37(5,6)7)21-30(29)33-16-14-26(38)22-41-33/h8-22H,1-7H3
InChIKeyGJTLGPLAEFGTPN-UHFFFAOYSA-N
XLogP10.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033735
3-(3-Benzylnaphthalen-2-yl)pyridine
CID 25130517
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
4-[6-(3,4-Difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033658
4-[6-(4-Fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
CID 25033726
4-[6-(3,4-Difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
CID 25033809
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(4-fluorophenyl)pyridazine
CID 10249256

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine (CID 155908927) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine is Cc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(-c3ccccc3)c(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)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine?
The InChIKey is GJTLGPLAEFGTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36F2N2/c1-23-17-18-40-35(34(23)39)31-19-25(36(2,3)4)13-15-27(31)29-20-28(24-11-9-8-10-12-24)32(37(5,6)7)21-30(29)33-16-14-26(38)22-41-33/h8-22H,1-7H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine has a molecular weight of 546.71 g/mol, XLogP of 10.33, 4 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)-5-phenylphenyl]phenyl]-3-fluoro-4-methylpyridine is sourced from PubChem (CID 155908927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).