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

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Related Compounds

2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 165149243
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline
CID 153458494
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 164776219
3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458209

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).