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

C65H43F4N3 — CID 165149037

IUPAC2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine
SMILESFc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(CCc3ccc(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)cc(-c3cc(F)c(F)cc3-c3ccc(-c4ccccn4)cc3)c2)cc1F
InChIInChI=1S/C65H43F4N3/c66-59-38-55(47-21-26-49(27-22-47)63-12-4-7-31-70-63)57(40-61(59)68)52-34-42(35-53(36-52)58-41-62(69)60(67)39-56(58)48-23-28-50(29-24-48)64-13-5-8-32-71-64)15-16-45-25-30-51(65-14-6-9-33-72-65)37-54(45)46-19-17-44(18-20-46)43-10-2-1-3-11-43/h1-14,17-41H,15-16H2
InChIKeyIWEYCQYSHSGHAT-UHFFFAOYSA-N
MW942.07 g/mol
LogP17.22
Rot. Bonds12

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

2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine (PubChem CID 165149037) has the molecular formula C65H43F4N3 and a molecular weight of 942.07 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine
PubChem CID165149037
Molecular FormulaC65H43F4N3
Molecular Weight942.07 g/mol
Exact Mass941.34
IUPAC Name2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine
SMILESFc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(CCc3ccc(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)cc(-c3cc(F)c(F)cc3-c3ccc(-c4ccccn4)cc3)c2)cc1F
InChIInChI=1S/C65H43F4N3/c66-59-38-55(47-21-26-49(27-22-47)63-12-4-7-31-70-63)57(40-61(59)68)52-34-42(35-53(36-52)58-41-62(69)60(67)39-56(58)48-23-28-50(29-24-48)64-13-5-8-32-71-64)15-16-45-25-30-51(65-14-6-9-33-72-65)37-54(45)46-19-17-44(18-20-46)43-10-2-1-3-11-43/h1-14,17-41H,15-16H2
InChIKeyIWEYCQYSHSGHAT-UHFFFAOYSA-N
XLogP17.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.07
LogP ≤ 517.22
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)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148303
2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine
CID 135057697
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine
CID 165148641
2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine
CID 171448310
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[2-[3-[2-(2-isocyano-4-pyridin-2-ylphenyl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-(4-phenyl-2-pyridinyl)phenyl]phenyl]phenyl]ethyl]-5-pyridin-2-ylbenzonitrile
CID 165149669
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole
CID 165149239

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine (CID 165149037) is 2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine is Fc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(CCc3ccc(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)cc(-c3cc(F)c(F)cc3-c3ccc(-c4ccccn4)cc3)c2)cc1F.
What is the InChIKey of 2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine?
The InChIKey is IWEYCQYSHSGHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43F4N3/c66-59-38-55(47-21-26-49(27-22-47)63-12-4-7-31-70-63)57(40-61(59)68)52-34-42(35-53(36-52)58-41-62(69)60(67)39-56(58)48-23-28-50(29-24-48)64-13-5-8-32-71-64)15-16-45-25-30-51(65-14-6-9-33-72-65)37-54(45)46-19-17-44(18-20-46)43-10-2-1-3-11-43/h1-14,17-41H,15-16H2.
What are the key properties of 2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine?
2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine has a molecular weight of 942.07 g/mol, XLogP of 17.22, 12 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[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine is sourced from PubChem (CID 165149037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).