2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine

C60H40N6 — CID 67990634

IUPAC2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cn4)c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)nc2)cc1
InChIInChI=1S/C60H40N6/c1-3-15-41(16-4-1)43-23-25-59(65-39-43)53-38-54(60-26-24-44(40-66-60)42-17-5-2-6-18-42)52(46-33-49(57-21-9-13-29-63-57)36-50(34-46)58-22-10-14-30-64-58)37-51(53)45-31-47(55-19-7-11-27-61-55)35-48(32-45)56-20-8-12-28-62-56/h1-40H
InChIKeyMBDXVTGFLBGRKY-UHFFFAOYSA-N
MW845.02 g/mol
LogP14.73
Rot. Bonds10

About 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine

2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine (PubChem CID 67990634) has the molecular formula C60H40N6 and a molecular weight of 845.02 g/mol. Its IUPAC name is 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine.

Molecular Properties

Compound Name2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine
PubChem CID67990634
Molecular FormulaC60H40N6
Molecular Weight845.02 g/mol
Exact Mass844.33
IUPAC Name2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cn4)c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)nc2)cc1
InChIInChI=1S/C60H40N6/c1-3-15-41(16-4-1)43-23-25-59(65-39-43)53-38-54(60-26-24-44(40-66-60)42-17-5-2-6-18-42)52(46-33-49(57-21-9-13-29-63-57)36-50(34-46)58-22-10-14-30-64-58)37-51(53)45-31-47(55-19-7-11-27-61-55)35-48(32-45)56-20-8-12-28-62-56/h1-40H
InChIKeyMBDXVTGFLBGRKY-UHFFFAOYSA-N
XLogP14.73
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.02
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine?
The IUPAC name of 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine (CID 67990634) is 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine.
What is the SMILES notation for 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine?
The canonical SMILES for 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cn4)c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)nc2)cc1.
What is the InChIKey of 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine?
The InChIKey is MBDXVTGFLBGRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N6/c1-3-15-41(16-4-1)43-23-25-59(65-39-43)53-38-54(60-26-24-44(40-66-60)42-17-5-2-6-18-42)52(46-33-49(57-21-9-13-29-63-57)36-50(34-46)58-22-10-14-30-64-58)37-51(53)45-31-47(55-19-7-11-27-61-55)35-48(32-45)56-20-8-12-28-62-56/h1-40H.
What are the key properties of 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine?
2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine has a molecular weight of 845.02 g/mol, XLogP of 14.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(5-phenyl-2-pyridinyl)phenyl]-5-phenylpyridine is sourced from PubChem (CID 67990634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).