2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine

C42H38F2N2 — CID 155908893

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine
SMILESCC(C)(C)c1cc(-c2ccc(F)cn2)c(-c2cc(-c3ccccc3)c(C(C)(C)C)cc2-c2ccc(F)cn2)cc1-c1ccccc1
InChIInChI=1S/C42H38F2N2/c1-41(2,3)37-23-35(39-19-17-29(43)25-45-39)33(21-31(37)27-13-9-7-10-14-27)34-22-32(28-15-11-8-12-16-28)38(42(4,5)6)24-36(34)40-20-18-30(44)26-46-40/h7-26H,1-6H3
InChIKeyGIORORCKVOSJCB-UHFFFAOYSA-N
MW608.78 g/mol
LogP11.68
Rot. Bonds5

About 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine

2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine (PubChem CID 155908893) has the molecular formula C42H38F2N2 and a molecular weight of 608.78 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine
PubChem CID155908893
Molecular FormulaC42H38F2N2
Molecular Weight608.78 g/mol
Exact Mass608.30
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine
SMILESCC(C)(C)c1cc(-c2ccc(F)cn2)c(-c2cc(-c3ccccc3)c(C(C)(C)C)cc2-c2ccc(F)cn2)cc1-c1ccccc1
InChIInChI=1S/C42H38F2N2/c1-41(2,3)37-23-35(39-19-17-29(43)25-45-39)33(21-31(37)27-13-9-7-10-14-27)34-22-32(28-15-11-8-12-16-28)38(42(4,5)6)24-36(34)40-20-18-30(44)26-46-40/h7-26H,1-6H3
InChIKeyGIORORCKVOSJCB-UHFFFAOYSA-N
XLogP11.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 511.68
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
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
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
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]-4-phenylphenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine (CID 155908893) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine is CC(C)(C)c1cc(-c2ccc(F)cn2)c(-c2cc(-c3ccccc3)c(C(C)(C)C)cc2-c2ccc(F)cn2)cc1-c1ccccc1.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine?
The InChIKey is GIORORCKVOSJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38F2N2/c1-41(2,3)37-23-35(39-19-17-29(43)25-45-39)33(21-31(37)27-13-9-7-10-14-27)34-22-32(28-15-11-8-12-16-28)38(42(4,5)6)24-36(34)40-20-18-30(44)26-46-40/h7-26H,1-6H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylphenyl]-4-phenylphenyl]-5-fluoropyridine has a molecular weight of 608.78 g/mol, XLogP of 11.68, 5 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]-4-phenylphenyl]-5-fluoropyridine is sourced from PubChem (CID 155908893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).