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

C61H44F3N3 — CID 165148303

IUPAC2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESFc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)cc2)c(-c2cc(CCc3ccc(-c4ccccn4)c(F)c3)cc(CCc3ccc(-c4ccccn4)c(F)c3)c2)c1
InChIInChI=1S/C61H44F3N3/c62-52-26-29-53(48-22-24-49(25-23-48)61-39-50(30-33-67-61)47-20-18-46(19-21-47)45-8-2-1-3-9-45)56(40-52)51-35-43(14-12-41-16-27-54(57(63)37-41)59-10-4-6-31-65-59)34-44(36-51)15-13-42-17-28-55(58(64)38-42)60-11-5-7-32-66-60/h1-11,16-40H,12-15H2
InChIKeyKMFAOZLVWADUEO-UHFFFAOYSA-N
MW876.04 g/mol
LogP15.53
Rot. Bonds13

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

2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine (PubChem CID 165148303) has the molecular formula C61H44F3N3 and a molecular weight of 876.04 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
PubChem CID165148303
Molecular FormulaC61H44F3N3
Molecular Weight876.04 g/mol
Exact Mass875.35
IUPAC Name2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESFc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)cc2)c(-c2cc(CCc3ccc(-c4ccccn4)c(F)c3)cc(CCc3ccc(-c4ccccn4)c(F)c3)c2)c1
InChIInChI=1S/C61H44F3N3/c62-52-26-29-53(48-22-24-49(25-23-48)61-39-50(30-33-67-61)47-20-18-46(19-21-47)45-8-2-1-3-9-45)56(40-52)51-35-43(14-12-41-16-27-54(57(63)37-41)59-10-4-6-31-65-59)34-44(36-51)15-13-42-17-28-55(58(64)38-42)60-11-5-7-32-66-60/h1-11,16-40H,12-15H2
InChIKeyKMFAOZLVWADUEO-UHFFFAOYSA-N
XLogP15.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.04
LogP ≤ 515.53
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-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
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-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 165149037
5-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]benzene-1,3-dicarbonitrile
CID 165148385
2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165149093
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-[4-(3-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 165148822
5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 165148575
2-[4-[2-[3,5-bis[2-(2-fluoro-4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(4-phenylphenyl)pyridine;iridium(3+)
CID 165148622

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine (CID 165148303) is 2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine is Fc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)cc2)c(-c2cc(CCc3ccc(-c4ccccn4)c(F)c3)cc(CCc3ccc(-c4ccccn4)c(F)c3)c2)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The InChIKey is KMFAOZLVWADUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44F3N3/c62-52-26-29-53(48-22-24-49(25-23-48)61-39-50(30-33-67-61)47-20-18-46(19-21-47)45-8-2-1-3-9-45)56(40-52)51-35-43(14-12-41-16-27-54(57(63)37-41)59-10-4-6-31-65-59)34-44(36-51)15-13-42-17-28-55(58(64)38-42)60-11-5-7-32-66-60/h1-11,16-40H,12-15H2.
What are the key properties of 2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine?
2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine has a molecular weight of 876.04 g/mol, XLogP of 15.53, 13 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[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 165148303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).