2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine

C38H34F2N2O2 — CID 155908925

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine
SMILESCC(C)(C)c1cc(-c2ccc(F)cn2)c(-c2cc(-c3ccco3)c(C(C)(C)C)cc2-c2ccc(F)cn2)cc1-c1ccco1
InChIInChI=1S/C38H34F2N2O2/c1-37(2,3)31-19-27(33-13-11-23(39)21-41-33)25(17-29(31)35-9-7-15-43-35)26-18-30(36-10-8-16-44-36)32(38(4,5)6)20-28(26)34-14-12-24(40)22-42-34/h7-22H,1-6H3
InChIKeyGJWPSXBJISVJHI-UHFFFAOYSA-N
MW588.70 g/mol
LogP10.87
Rot. Bonds5

About 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine

2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine (PubChem CID 155908925) has the molecular formula C38H34F2N2O2 and a molecular weight of 588.70 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine
PubChem CID155908925
Molecular FormulaC38H34F2N2O2
Molecular Weight588.70 g/mol
Exact Mass588.26
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine
SMILESCC(C)(C)c1cc(-c2ccc(F)cn2)c(-c2cc(-c3ccco3)c(C(C)(C)C)cc2-c2ccc(F)cn2)cc1-c1ccco1
InChIInChI=1S/C38H34F2N2O2/c1-37(2,3)31-19-27(33-13-11-23(39)21-41-33)25(17-29(31)35-9-7-15-43-35)26-18-30(36-10-8-16-44-36)32(38(4,5)6)20-28(26)34-14-12-24(40)22-42-34/h7-22H,1-6H3
InChIKeyGJWPSXBJISVJHI-UHFFFAOYSA-N
XLogP10.87
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.70
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

16,16-Bis(furan-2-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 44324455
11-Fluoro-16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9(14),10,12-hexaene chloride
CID 15281320
1-(5,6-Bis(4-(furan-3-yl)phenyl)pyrazin-2-yl)-N-(piperidin-4-ylmethyl)methanamine
CID 155542846
2-[5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 164616315
2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine
CID 164622359
8-[[4-[4-(Furan-3-yl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane
CID 172451221
(2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one
CID 154716329
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-(furan-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908886
4-[5-[4-(5-Pyridin-4-ylfuran-2-yl)phenyl]furan-2-yl]pyridine
CID 399432
1-Cyclopentyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]-2-pyridin-2-ylbutan-1-one
CID 9802972
1-cyclohexyl-4-[4-(6-fluoro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridin-2-ylbutan-1-one
CID 9803619
1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridin-2-ylbutan-1-one
CID 9846417

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine (CID 155908925) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine is CC(C)(C)c1cc(-c2ccc(F)cn2)c(-c2cc(-c3ccco3)c(C(C)(C)C)cc2-c2ccc(F)cn2)cc1-c1ccco1.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine?
The InChIKey is GJWPSXBJISVJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34F2N2O2/c1-37(2,3)31-19-27(33-13-11-23(39)21-41-33)25(17-29(31)35-9-7-15-43-35)26-18-30(36-10-8-16-44-36)32(38(4,5)6)20-28(26)34-14-12-24(40)22-42-34/h7-22H,1-6H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine has a molecular weight of 588.70 g/mol, XLogP of 10.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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-(furan-2-yl)phenyl]-4-(furan-2-yl)phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).