5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine

C55H43N3 — CID 165148497

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
SMILESc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccccc4)c3)cn2)cc1
InChIInChI=1S/C55H43N3/c1-5-15-44(16-6-1)51-36-55(47-21-11-4-12-22-47)58-39-52(51)50-24-14-13-23-49(50)48-34-42(27-25-40-29-31-53(56-37-40)45-17-7-2-8-18-45)33-43(35-48)28-26-41-30-32-54(57-38-41)46-19-9-3-10-20-46/h1-24,29-39H,25-28H2
InChIKeyGETHYFQPYSOFEW-UHFFFAOYSA-N
MW745.97 g/mol
LogP13.44
Rot. Bonds12

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine (PubChem CID 165148497) has the molecular formula C55H43N3 and a molecular weight of 745.97 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
PubChem CID165148497
Molecular FormulaC55H43N3
Molecular Weight745.97 g/mol
Exact Mass745.35
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
SMILESc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccccc4)c3)cn2)cc1
InChIInChI=1S/C55H43N3/c1-5-15-44(16-6-1)51-36-55(47-21-11-4-12-22-47)58-39-52(51)50-24-14-13-23-49(50)48-34-42(27-25-40-29-31-53(56-37-40)45-17-7-2-8-18-45)33-43(35-48)28-26-41-30-32-54(57-38-41)46-19-9-3-10-20-46/h1-24,29-39H,25-28H2
InChIKeyGETHYFQPYSOFEW-UHFFFAOYSA-N
XLogP13.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine (CID 165148497) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine is c1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccccc4)c3)cn2)cc1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine?
The InChIKey is GETHYFQPYSOFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N3/c1-5-15-44(16-6-1)51-36-55(47-21-11-4-12-22-47)58-39-52(51)50-24-14-13-23-49(50)48-34-42(27-25-40-29-31-53(56-37-40)45-17-7-2-8-18-45)33-43(35-48)28-26-41-30-32-54(57-38-41)46-19-9-3-10-20-46/h1-24,29-39H,25-28H2.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine has a molecular weight of 745.97 g/mol, XLogP of 13.44, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine is sourced from PubChem (CID 165148497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).