5-Methoxy-3-(5-methoxyindol-3-yl)indole - CAS 916179-44-7

Catalog:	BB060175
Product Name:	5-Methoxy-3-(5-methoxyindol-3-yl)indole
CAS:	916179-44-7
Synonyms:	5,5'-Dimethoxy-3,3'-bi-1H-indole

Technical Data

IUPAC Name:	5-methoxy-3-(5-methoxy-1H-indol-3-yl)-1H-indole
Description:	5-Methoxy-3-(5-methoxyindol-3-yl)indole is an intermediate in the synthesis of metabolites of Melatonin (M215000), a hormone produced by the pineal gland in the vertebrate brain which affects the modulation of sleep patterns and circadian rhythms.
Molecular Weight:	292.33
Molecular Formula:	C18H16N2O2
Canonical SMILES:	COC1=CC2=C(C=C1)NC=C2C3=CNC4=C3C=C(C=C4)OC
InChI:	InChI=1S/C18H16N2O2/c1-21-11-3-5-17-13(7-11)15(9-19-17)16-10-20-18-6-4-12(22-2)8-14(16)18/h3-10,19-20H,1-2H3
InChI Key:	MNJAPXVKNJGGLO-UHFFFAOYSA-N
Solubility:	DMSO
Appearance:	Black Solid

Complexity:	355
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	292.121177757
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	292.121177757
Rotatable Bond Count:	3
Topological Polar Surface Area:	50Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7