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

C35H34F2N2O — CID 155908886

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(-c3ccco3)c(C(C)(C)C)cc2-c2ccc(F)cn2)c1F
InChIInChI=1S/C35H34F2N2O/c1-21-14-15-38-33(32(21)37)27-17-22(34(2,3)4)10-12-24(27)25-18-28(31-9-8-16-40-31)29(35(5,6)7)19-26(25)30-13-11-23(36)20-39-30/h8-20H,1-7H3
InChIKeyWIAJKWMENHNEJJ-UHFFFAOYSA-N
MW536.67 g/mol
LogP9.92
Rot. Bonds4

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

2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine (PubChem CID 155908886) has the molecular formula C35H34F2N2O and a molecular weight of 536.67 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine
PubChem CID155908886
Molecular FormulaC35H34F2N2O
Molecular Weight536.67 g/mol
Exact Mass536.26
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(-c3ccco3)c(C(C)(C)C)cc2-c2ccc(F)cn2)c1F
InChIInChI=1S/C35H34F2N2O/c1-21-14-15-38-33(32(21)37)27-17-22(34(2,3)4)10-12-24(27)25-18-28(31-9-8-16-40-31)29(35(5,6)7)19-26(25)30-13-11-23(36)20-39-30/h8-20H,1-7H3
InChIKeyWIAJKWMENHNEJJ-UHFFFAOYSA-N
XLogP9.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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]phenyl]-3-fluoro-4-methylpyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine (CID 155908886) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)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)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine is Cc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(-c3ccco3)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-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
The InChIKey is WIAJKWMENHNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F2N2O/c1-21-14-15-38-33(32(21)37)27-17-22(34(2,3)4)10-12-24(27)25-18-28(31-9-8-16-40-31)29(35(5,6)7)19-26(25)30-13-11-23(36)20-39-30/h8-20H,1-7H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-(furan-2-yl)phenyl]phenyl]-3-fluoro-4-methylpyridine has a molecular weight of 536.67 g/mol, XLogP of 9.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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]phenyl]-3-fluoro-4-methylpyridine is sourced from PubChem (CID 155908886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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