2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine

C37H30FN3 — CID 58106934

IUPAC2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine
SMILESFC(c1cccc(Cc2ccccc2)n1)(c1cccc(Cc2ccccc2)n1)c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C37H30FN3/c38-37(34-22-10-19-31(39-34)25-28-13-4-1-5-14-28,35-23-11-20-32(40-35)26-29-15-6-2-7-16-29)36-24-12-21-33(41-36)27-30-17-8-3-9-18-30/h1-24H,25-27H2
InChIKeyYKSIRVVWKBSWAH-UHFFFAOYSA-N
MW535.67 g/mol
LogP7.91
Rot. Bonds9

About 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine

2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine (PubChem CID 58106934) has the molecular formula C37H30FN3 and a molecular weight of 535.67 g/mol. Its IUPAC name is 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine.

Molecular Properties

Compound Name2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine
PubChem CID58106934
Molecular FormulaC37H30FN3
Molecular Weight535.67 g/mol
Exact Mass535.24
IUPAC Name2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine
SMILESFC(c1cccc(Cc2ccccc2)n1)(c1cccc(Cc2ccccc2)n1)c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C37H30FN3/c38-37(34-22-10-19-31(39-34)25-28-13-4-1-5-14-28,35-23-11-20-32(40-35)26-29-15-6-2-7-16-29)36-24-12-21-33(41-36)27-30-17-8-3-9-18-30/h1-24H,25-27H2
InChIKeyYKSIRVVWKBSWAH-UHFFFAOYSA-N
XLogP7.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.67
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine?
The IUPAC name of 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine (CID 58106934) is 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine.
What is the SMILES notation for 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine?
The canonical SMILES for 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine is FC(c1cccc(Cc2ccccc2)n1)(c1cccc(Cc2ccccc2)n1)c1cccc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine?
The InChIKey is YKSIRVVWKBSWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30FN3/c38-37(34-22-10-19-31(39-34)25-28-13-4-1-5-14-28,35-23-11-20-32(40-35)26-29-15-6-2-7-16-29)36-24-12-21-33(41-36)27-30-17-8-3-9-18-30/h1-24H,25-27H2.
What are the key properties of 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine?
2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine has a molecular weight of 535.67 g/mol, XLogP of 7.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[bis(6-benzyl-2-pyridinyl)-fluoromethyl]pyridine is sourced from PubChem (CID 58106934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).