4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine

C42H28N6 — CID 122364714

IUPAC4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C42H28N6/c1-2-12-34(32-27-41(37-15-5-9-23-45-37)48-42(28-32)38-16-6-10-24-46-38)33(11-1)30-19-17-29(18-20-30)31-25-39(35-13-3-7-21-43-35)47-40(26-31)36-14-4-8-22-44-36/h1-28H
InChIKeyOKVHRLPHVRMCAL-UHFFFAOYSA-N
MW616.73 g/mol
LogP9.73
Rot. Bonds7

About 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine

4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 122364714) has the molecular formula C42H28N6 and a molecular weight of 616.73 g/mol. Its IUPAC name is 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID122364714
Molecular FormulaC42H28N6
Molecular Weight616.73 g/mol
Exact Mass616.24
IUPAC Name4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C42H28N6/c1-2-12-34(32-27-41(37-15-5-9-23-45-37)48-42(28-32)38-16-6-10-24-46-38)33(11-1)30-19-17-29(18-20-30)31-25-39(35-13-3-7-21-43-35)47-40(26-31)36-14-4-8-22-44-36/h1-28H
InChIKeyOKVHRLPHVRMCAL-UHFFFAOYSA-N
XLogP9.73
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.73
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine (CID 122364714) is 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is OKVHRLPHVRMCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6/c1-2-12-34(32-27-41(37-15-5-9-23-45-37)48-42(28-32)38-16-6-10-24-46-38)33(11-1)30-19-17-29(18-20-30)31-25-39(35-13-3-7-21-43-35)47-40(26-31)36-14-4-8-22-44-36/h1-28H.
What are the key properties of 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine?
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 616.73 g/mol, XLogP of 9.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 122364714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).