2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol

C53H41N3O — CID 165149477

IUPAC2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol
SMILESOc1cc(-c2ccc3ccccc3n2)ccc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccn3)cc2)cc(CCc2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C53H41N3O/c57-53-36-44(52-30-28-41-9-1-4-14-51(41)56-52)27-29-48(53)47-11-3-2-10-46(47)45-34-39(17-15-37-19-23-42(24-20-37)49-12-5-7-31-54-49)33-40(35-45)18-16-38-21-25-43(26-22-38)50-13-6-8-32-55-50/h1-14,19-36,57H,15-18H2
InChIKeyTZSFPIGDTQFPMS-UHFFFAOYSA-N
MW735.93 g/mol
LogP12.64
Rot. Bonds11

About 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol

2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol (PubChem CID 165149477) has the molecular formula C53H41N3O and a molecular weight of 735.93 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol
PubChem CID165149477
Molecular FormulaC53H41N3O
Molecular Weight735.93 g/mol
Exact Mass735.32
IUPAC Name2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol
SMILESOc1cc(-c2ccc3ccccc3n2)ccc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccn3)cc2)cc(CCc2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C53H41N3O/c57-53-36-44(52-30-28-41-9-1-4-14-51(41)56-52)27-29-48(53)47-11-3-2-10-46(47)45-34-39(17-15-37-19-23-42(24-20-37)49-12-5-7-31-54-49)33-40(35-45)18-16-38-21-25-43(26-22-38)50-13-6-8-32-55-50/h1-14,19-36,57H,15-18H2
InChIKeyTZSFPIGDTQFPMS-UHFFFAOYSA-N
XLogP12.64
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 512.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
CID 165148204
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-chloro-5-[5-[6-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(4-quinolin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]quinoline
CID 126638747
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-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine
CID 165148641
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 166806244
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
2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
2-(4-propylphenyl)quinoline
CID 69251676
2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
CID 172795269

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol?
The IUPAC name of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol (CID 165149477) is 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol.
What is the SMILES notation for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol?
The canonical SMILES for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol is Oc1cc(-c2ccc3ccccc3n2)ccc1-c1ccccc1-c1cc(CCc2ccc(-c3ccccn3)cc2)cc(CCc2ccc(-c3ccccn3)cc2)c1.
What is the InChIKey of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol?
The InChIKey is TZSFPIGDTQFPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N3O/c57-53-36-44(52-30-28-41-9-1-4-14-51(41)56-52)27-29-48(53)47-11-3-2-10-46(47)45-34-39(17-15-37-19-23-42(24-20-37)49-12-5-7-31-54-49)33-40(35-45)18-16-38-21-25-43(26-22-38)50-13-6-8-32-55-50/h1-14,19-36,57H,15-18H2.
What are the key properties of 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol?
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol has a molecular weight of 735.93 g/mol, XLogP of 12.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol is sourced from PubChem (CID 165149477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).