1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene

Catalog Number	ACM146406759-2
CAS	146406-75-9
Structure
Synonyms	4',4''''-(1,4-Phenylene)bis(2,2':6',2''-terpyridine); 4-[4-(2,6-Dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
IUPAC Name	4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
Molecular Weight	540.62
Molecular Formula	C36H24N6
Canonical SMILES	C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7
InChI	NXMHYAQTBVTLRK-UHFFFAOYSA-N
InChI Key	InChI=1S/C36H24N6/c1-5-17-37-29(9-1)33-21-27(22-34(41-33)30-10-2-6-18-38-30)25-13-15-26(16-14-25)28-23-35(31-11-3-7-19-39-31)42-36(24-28)32-12-4-8-20-40-32/h1-24H
Boiling Point	340 °C (dec.)-lit.
Melting Point	340 °C (dec.)-lit.
Purity	98%
Appearance	Grey white solid
Complexity	697
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	540.20624479
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Monoisotopic Mass	540.20624479
Rotatable Bond Count	6
Topological Polar Surface Area	77.3 Ų

Q&A

What is the molecular weight of 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene?

The molecular weight is 540.62.

What are the product categories that 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene belongs to?

The product categories are Heterocyclic Compounds, C9 to C46, Heterocyclic Building Blocks, and Pyridines.

What is another name for 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene?

Another name for it is 1,4-Bis(2,2':6',2''-terpyridin-4'-yl)benzene.

What is the melting point of 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene?

The melting point is 340 °C (dec.) (lit.).

What is the predicted density of 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene?

The predicted density is 1.227±0.06 g/cm3.

What form does 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene come in?

It comes in the form of powder to crystal.

What is the color of 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene?

The color can be White to Yellow to Orange.

What is the predicted boiling point of 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene?

The predicted boiling point is 727.8±55.0 °C.

How should 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene be stored?

It should be stored in an inert atmosphere at room temperature.

What are the hazard codes associated with 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene?

The hazard code is Xi.