4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine

C42H28N6 — CID 102048585

IUPAC4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C42H28N6/c1-5-19-43-35(15-1)39-25-33(26-40(47-39)36-16-2-6-20-44-36)31-13-9-11-29(23-31)30-12-10-14-32(24-30)34-27-41(37-17-3-7-21-45-37)48-42(28-34)38-18-4-8-22-46-38/h1-28H
InChIKeyTXAMDKFWMKJYRP-UHFFFAOYSA-N
MW616.73 g/mol
LogP9.73
Rot. Bonds7

About 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine

4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 102048585) has the molecular formula C42H28N6 and a molecular weight of 616.73 g/mol. Its IUPAC name is 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID102048585
Molecular FormulaC42H28N6
Molecular Weight616.73 g/mol
Exact Mass616.24
IUPAC Name4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C42H28N6/c1-5-19-43-35(15-1)39-25-33(26-40(47-39)36-16-2-6-20-44-36)31-13-9-11-29(23-31)30-12-10-14-32(24-30)34-27-41(37-17-3-7-21-45-37)48-42(28-34)38-18-4-8-22-46-38/h1-28H
InChIKeyTXAMDKFWMKJYRP-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

Analyze 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 86064133
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
4-[3-[2-[4-[2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102407209
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine (CID 102048585) is 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is TXAMDKFWMKJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6/c1-5-19-43-35(15-1)39-25-33(26-40(47-39)36-16-2-6-20-44-36)31-13-9-11-29(23-31)30-12-10-14-32(24-30)34-27-41(37-17-3-7-21-45-37)48-42(28-34)38-18-4-8-22-46-38/h1-28H.
What are the key properties of 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine?
4-[3-[3-(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-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 102048585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).