2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine

C34H24FN3 — CID 67228538

IUPAC2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine
SMILESFC(c1cccc(-c2ccccc2)n1)(c1cccc(-c2ccccc2)n1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C34H24FN3/c35-34(31-22-10-19-28(36-31)25-13-4-1-5-14-25,32-23-11-20-29(37-32)26-15-6-2-7-16-26)33-24-12-21-30(38-33)27-17-8-3-9-18-27/h1-24H
InChIKeyBSGAESOHSGRPLH-UHFFFAOYSA-N
MW493.59 g/mol
LogP8.13
Rot. Bonds6

About 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine

2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine (PubChem CID 67228538) has the molecular formula C34H24FN3 and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine
PubChem CID67228538
Molecular FormulaC34H24FN3
Molecular Weight493.59 g/mol
Exact Mass493.20
IUPAC Name2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine
SMILESFC(c1cccc(-c2ccccc2)n1)(c1cccc(-c2ccccc2)n1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C34H24FN3/c35-34(31-22-10-19-28(36-31)25-13-4-1-5-14-25,32-23-11-20-29(37-32)26-15-6-2-7-16-26)33-24-12-21-30(38-33)27-17-8-3-9-18-27/h1-24H
InChIKeyBSGAESOHSGRPLH-UHFFFAOYSA-N
XLogP8.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine?
The IUPAC name of 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine (CID 67228538) is 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine.
What is the SMILES notation for 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine?
The canonical SMILES for 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine is FC(c1cccc(-c2ccccc2)n1)(c1cccc(-c2ccccc2)n1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine?
The InChIKey is BSGAESOHSGRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN3/c35-34(31-22-10-19-28(36-31)25-13-4-1-5-14-25,32-23-11-20-29(37-32)26-15-6-2-7-16-26)33-24-12-21-30(38-33)27-17-8-3-9-18-27/h1-24H.
What are the key properties of 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine?
2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine has a molecular weight of 493.59 g/mol, XLogP of 8.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-bis(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine is sourced from PubChem (CID 67228538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).