5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one

C49H39N3O — CID 165149434

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]cc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccc3)nc2)cc(CCc2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C49H39N3O/c53-49-31-48(41-16-8-3-9-17-41)52-34-45(49)44-19-11-10-18-43(44)42-29-37(22-20-35-24-26-46(50-32-35)39-12-4-1-5-13-39)28-38(30-42)23-21-36-25-27-47(51-33-36)40-14-6-2-7-15-40/h1-19,24-34H,20-23H2,(H,52,53)
InChIKeyANPFNMXNEQQIOU-UHFFFAOYSA-N
MW685.87 g/mol
LogP11.07
Rot. Bonds11

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one (PubChem CID 165149434) has the molecular formula C49H39N3O and a molecular weight of 685.87 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one
PubChem CID165149434
Molecular FormulaC49H39N3O
Molecular Weight685.87 g/mol
Exact Mass685.31
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]cc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccc3)nc2)cc(CCc2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C49H39N3O/c53-49-31-48(41-16-8-3-9-17-41)52-34-45(49)44-19-11-10-18-43(44)42-29-37(22-20-35-24-26-46(50-32-35)39-12-4-1-5-13-39)28-38(30-42)23-21-36-25-27-47(51-33-36)40-14-6-2-7-15-40/h1-19,24-34H,20-23H2,(H,52,53)
InChIKeyANPFNMXNEQQIOU-UHFFFAOYSA-N
XLogP11.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 511.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
CID 165148497
3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 165148910
[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-pyridinyl]-diphenylborane
CID 165148311
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine
CID 165149245
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 177269899
iridium(3+);2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 164776191
2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 165149263
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-pyridinyl]-2-phenylpyrimidine;iridium(3+)
CID 165148568
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(4-phenylphenyl)pyridine;iridium(3+)
CID 165148611
iridium(3+);2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)ethyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]ethyl]pyridine
CID 165149589

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one (CID 165149434) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one is O=c1cc(-c2ccccc2)[nH]cc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccc3)nc2)cc(CCc2ccc(-c3ccccc3)nc2)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one?
The InChIKey is ANPFNMXNEQQIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N3O/c53-49-31-48(41-16-8-3-9-17-41)52-34-45(49)44-19-11-10-18-43(44)42-29-37(22-20-35-24-26-46(50-32-35)39-12-4-1-5-13-39)28-38(30-42)23-21-36-25-27-47(51-33-36)40-14-6-2-7-15-40/h1-19,24-34H,20-23H2,(H,52,53).
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one has a molecular weight of 685.87 g/mol, XLogP of 11.07, 11 rotatable bonds, 1 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-phenyl-1H-pyridin-4-one is sourced from PubChem (CID 165149434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).