4,4'-Dinonyl-2,2'-bipyridyl

Catalog Number	ACM142646580-2
CAS	142646-58-0
Structure
Description	4,4'-Dimethyl-2,2'-dipyridyl (dmbipy) may be used as a ligand in the synthesis of :• carbonato-bridged triangular trinuclear compounds and tetranuclear hydroxo-bridged compounds• dmbipy-copper bridged complexes, which show variation in crystal geometries, thermal and magnetic properties
Synonyms	4-Nonyl-2-(4-Nonylpyridin-2-Yl)Pyridine; 2,2'-Bipyridine
IUPAC Name	4-nonyl-2-(4-nonylpyridin-2-yl)pyridine;
Molecular Weight	408.66
Molecular Formula	C28H44N2
Canonical SMILES	CCCCCCCCCC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCCCCCC;
InChI	InChI=1S/C28H44N2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChI Key	VHJFWJXYEWHCGD-UHFFFAOYSA-N
Boiling Point	273 °C(lit.)
Melting Point	63 °C
Flash Point	228.2 °F
Purity	98%
Appearance	White to off-white solid or crystal
Complexity	347
Covalently-Bonded Unit Count	1
Exact Mass	408.35g/mol
Heavy Atom Count	30
MDL Number	MFCD00800915
Monoisotopic Mass	408.35g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	25.8A^2

Q&A

What is the molecular formula of 4,4'-Dinonyl-2,2'-bipyridyl?

The molecular formula of 4,4'-Dinonyl-2,2'-bipyridyl is C28H46N2.

What is the molecular weight of 4,4'-Dinonyl-2,2'-bipyridyl?

The molecular weight of 4,4'-Dinonyl-2,2'-bipyridyl is 410.7 g/mol.

What is the IUPAC name of 4,4'-Dinonyl-2,2'-bipyridyl?

The IUPAC name of 4,4'-Dinonyl-2,2'-bipyridyl is 4,4-di(nonyl)-2-pyridin-2-yl-3H-pyridine.

What is the InChI of 4,4'-Dinonyl-2,2'-bipyridyl?

The InChI of 4,4'-Dinonyl-2,2'-bipyridyl is InChI=1S/C28H46N2/c1-3-5-7-9-11-13-16-20-28(21-17-14-12-10-8-6-4-2)22-24-30-27(25-28)26-19-15-18-23-29-26/h15,18-19,22-24H,3-14,16-17,20-21,25H2,1-2H3.

What is the InChIKey of 4,4'-Dinonyl-2,2'-bipyridyl?

The InChIKey of 4,4'-Dinonyl-2,2'-bipyridyl is JLPLVIPEXNMWGC-UHFFFAOYSA-N.

What is the canonical SMILES of 4,4'-Dinonyl-2,2'-bipyridyl?

The canonical SMILES of 4,4'-Dinonyl-2,2'-bipyridyl is CCCCCCCCCC1(CC(=NC=C1)C2=CC=CC=N2)CCCCCCCCC.

What is the XLogP3-AA value of 4,4'-Dinonyl-2,2'-bipyridyl?

The XLogP3-AA value of 4,4'-Dinonyl-2,2'-bipyridyl is 11.

How many hydrogen bond donor count does 4,4'-Dinonyl-2,2'-bipyridyl have?

4,4'-Dinonyl-2,2'-bipyridyl does not have any hydrogen bond donor count.

How many hydrogen bond acceptor count does 4,4'-Dinonyl-2,2'-bipyridyl have?

4,4'-Dinonyl-2,2'-bipyridyl has 2 hydrogen bond acceptor count.

How many rotatable bond count does 4,4'-Dinonyl-2,2'-bipyridyl have?

4,4'-Dinonyl-2,2'-bipyridyl has 17 rotatable bond count.