2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine

C51H36N4O — CID 134224080

IUPAC2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine
SMILESc1ccc(COc2c(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)cc2-c2cccc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C51H36N4O/c1-2-11-36(12-3-1)35-56-51-47(41-17-5-14-38(28-41)44-20-9-25-53-33-44)30-46(40-16-4-13-37(27-40)43-19-8-24-52-32-43)31-48(51)50-23-7-22-49(55-50)42-18-6-15-39(29-42)45-21-10-26-54-34-45/h1-34H,35H2
InChIKeyKSISKACZDADSGK-UHFFFAOYSA-N
MW720.88 g/mol
LogP12.51
Rot. Bonds10

About 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine

2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine (PubChem CID 134224080) has the molecular formula C51H36N4O and a molecular weight of 720.88 g/mol. Its IUPAC name is 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine.

Molecular Properties

Compound Name2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine
PubChem CID134224080
Molecular FormulaC51H36N4O
Molecular Weight720.88 g/mol
Exact Mass720.29
IUPAC Name2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine
SMILESc1ccc(COc2c(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)cc2-c2cccc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C51H36N4O/c1-2-11-36(12-3-1)35-56-51-47(41-17-5-14-38(28-41)44-20-9-25-53-33-44)30-46(40-16-4-13-37(27-40)43-19-8-24-52-32-43)31-48(51)50-23-7-22-49(55-50)42-18-6-15-39(29-42)45-21-10-26-54-34-45/h1-34H,35H2
InChIKeyKSISKACZDADSGK-UHFFFAOYSA-N
XLogP12.51
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.88
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine?
The IUPAC name of 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine (CID 134224080) is 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine.
What is the SMILES notation for 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine?
The canonical SMILES for 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine is c1ccc(COc2c(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)cc2-c2cccc(-c3cccc(-c4cccnc4)c3)n2)cc1.
What is the InChIKey of 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine?
The InChIKey is KSISKACZDADSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4O/c1-2-11-36(12-3-1)35-56-51-47(41-17-5-14-38(28-41)44-20-9-25-53-33-44)30-46(40-16-4-13-37(27-40)43-19-8-24-52-32-43)31-48(51)50-23-7-22-49(55-50)42-18-6-15-39(29-42)45-21-10-26-54-34-45/h1-34H,35H2.
What are the key properties of 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine?
2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine has a molecular weight of 720.88 g/mol, XLogP of 12.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine is sourced from PubChem (CID 134224080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).