2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine

C46H28F2N8 — CID 58090489

IUPAC2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
SMILESFc1c(-c2cccc(-c3ccccn3)n2)c(-c2cccc(-c3ccccn3)n2)c(F)c(-c2cccc(-c3ccccn3)n2)c1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C46H28F2N8/c47-45-41(37-21-9-17-33(53-37)29-13-1-5-25-49-29)42(38-22-10-18-34(54-38)30-14-2-6-26-50-30)46(48)44(40-24-12-20-36(56-40)32-16-4-8-28-52-32)43(45)39-23-11-19-35(55-39)31-15-3-7-27-51-31/h1-28H
InChIKeyKFKPLIXGOXYBNR-UHFFFAOYSA-N
MW730.78 g/mol
LogP10.46
Rot. Bonds8

About 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine

2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine (PubChem CID 58090489) has the molecular formula C46H28F2N8 and a molecular weight of 730.78 g/mol. Its IUPAC name is 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
PubChem CID58090489
Molecular FormulaC46H28F2N8
Molecular Weight730.78 g/mol
Exact Mass730.24
IUPAC Name2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
SMILESFc1c(-c2cccc(-c3ccccn3)n2)c(-c2cccc(-c3ccccn3)n2)c(F)c(-c2cccc(-c3ccccn3)n2)c1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C46H28F2N8/c47-45-41(37-21-9-17-33(53-37)29-13-1-5-25-49-29)42(38-22-10-18-34(54-38)30-14-2-6-26-50-30)46(48)44(40-24-12-20-36(56-40)32-16-4-8-28-52-32)43(45)39-23-11-19-35(55-39)31-15-3-7-27-51-31/h1-28H
InChIKeyKFKPLIXGOXYBNR-UHFFFAOYSA-N
XLogP10.46
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.78
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine (CID 58090489) is 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine is Fc1c(-c2cccc(-c3ccccn3)n2)c(-c2cccc(-c3ccccn3)n2)c(F)c(-c2cccc(-c3ccccn3)n2)c1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine?
The InChIKey is KFKPLIXGOXYBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F2N8/c47-45-41(37-21-9-17-33(53-37)29-13-1-5-25-49-29)42(38-22-10-18-34(54-38)30-14-2-6-26-50-30)46(48)44(40-24-12-20-36(56-40)32-16-4-8-28-52-32)43(45)39-23-11-19-35(55-39)31-15-3-7-27-51-31/h1-28H.
What are the key properties of 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine?
2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine has a molecular weight of 730.78 g/mol, XLogP of 10.46, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 58090489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).