2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine

C69H45F2N3 — CID 153458373

IUPAC2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
SMILESFc1ccc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(-c3cc(F)ccc3-c3ccc(-c4ccccn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C69H45F2N3/c70-57-32-35-60(48-23-27-51(28-24-48)67-16-6-9-37-72-67)65(44-57)55-40-54(41-56(42-55)66-45-58(71)33-36-61(66)49-25-29-52(30-26-49)68-17-7-10-38-73-68)59-14-4-5-15-62(59)63-34-31-53(69-18-8-11-39-74-69)43-64(63)50-21-19-47(20-22-50)46-12-2-1-3-13-46/h1-45H
InChIKeyRESFDKNLESCNQQ-UHFFFAOYSA-N
MW954.14 g/mol
LogP18.49
Rot. Bonds11

About 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine

2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine (PubChem CID 153458373) has the molecular formula C69H45F2N3 and a molecular weight of 954.14 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
PubChem CID153458373
Molecular FormulaC69H45F2N3
Molecular Weight954.14 g/mol
Exact Mass953.36
IUPAC Name2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
SMILESFc1ccc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(-c3cc(F)ccc3-c3ccc(-c4ccccn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C69H45F2N3/c70-57-32-35-60(48-23-27-51(28-24-48)67-16-6-9-37-72-67)65(44-57)55-40-54(41-56(42-55)66-45-58(71)33-36-61(66)49-25-29-52(30-26-49)68-17-7-10-38-73-68)59-14-4-5-15-62(59)63-34-31-53(69-18-8-11-39-74-69)43-64(63)50-21-19-47(20-22-50)46-12-2-1-3-13-46/h1-45H
InChIKeyRESFDKNLESCNQQ-UHFFFAOYSA-N
XLogP18.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.14
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine (CID 153458373) is 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine is Fc1ccc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(-c3cc(F)ccc3-c3ccc(-c4ccccn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)c2)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine?
The InChIKey is RESFDKNLESCNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45F2N3/c70-57-32-35-60(48-23-27-51(28-24-48)67-16-6-9-37-72-67)65(44-57)55-40-54(41-56(42-55)66-45-58(71)33-36-61(66)49-25-29-52(30-26-49)68-17-7-10-38-73-68)59-14-4-5-15-62(59)63-34-31-53(69-18-8-11-39-74-69)43-64(63)50-21-19-47(20-22-50)46-12-2-1-3-13-46/h1-45H.
What are the key properties of 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine?
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine has a molecular weight of 954.14 g/mol, XLogP of 18.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine is sourced from PubChem (CID 153458373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).