2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine

C33H24N2OS — CID 139363716

IUPAC2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine
SMILESc1ccc(-c2ccccc2[C@H](c2cccc(Oc3cc(-c4ccccn4)cs3)c2)c2ccccn2)cc1
InChIInChI=1S/C33H24N2OS/c1-2-11-24(12-3-1)28-15-4-5-16-29(28)33(31-18-7-9-20-35-31)25-13-10-14-27(21-25)36-32-22-26(23-37-32)30-17-6-8-19-34-30/h1-23,33H/t33-/m0/s1
InChIKeyXFRMXKZSBXZWHE-XIFFEERXSA-N
MW496.64 g/mol
LogP8.84
Rot. Bonds7

About 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine

2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine (PubChem CID 139363716) has the molecular formula C33H24N2OS and a molecular weight of 496.64 g/mol. Its IUPAC name is 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine
PubChem CID139363716
Molecular FormulaC33H24N2OS
Molecular Weight496.64 g/mol
Exact Mass496.16
IUPAC Name2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine
SMILESc1ccc(-c2ccccc2[C@H](c2cccc(Oc3cc(-c4ccccn4)cs3)c2)c2ccccn2)cc1
InChIInChI=1S/C33H24N2OS/c1-2-11-24(12-3-1)28-15-4-5-16-29(28)33(31-18-7-9-20-35-31)25-13-10-14-27(21-25)36-32-22-26(23-37-32)30-17-6-8-19-34-30/h1-23,33H/t33-/m0/s1
InChIKeyXFRMXKZSBXZWHE-XIFFEERXSA-N
XLogP8.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.64
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine?
The IUPAC name of 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine (CID 139363716) is 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine.
What is the SMILES notation for 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine?
The canonical SMILES for 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine is c1ccc(-c2ccccc2[C@H](c2cccc(Oc3cc(-c4ccccn4)cs3)c2)c2ccccn2)cc1.
What is the InChIKey of 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine?
The InChIKey is XFRMXKZSBXZWHE-XIFFEERXSA-N. The full InChI is InChI=1S/C33H24N2OS/c1-2-11-24(12-3-1)28-15-4-5-16-29(28)33(31-18-7-9-20-35-31)25-13-10-14-27(21-25)36-32-22-26(23-37-32)30-17-6-8-19-34-30/h1-23,33H/t33-/m0/s1.
What are the key properties of 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine?
2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine has a molecular weight of 496.64 g/mol, XLogP of 8.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[(S)-(2-phenylphenyl)-pyridin-2-ylmethyl]phenoxy]thiophen-3-yl]pyridine is sourced from PubChem (CID 139363716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).