200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 863545-34-0
863545-34-0 | Benzaldehyde, 3,5-bis[2-(10-hexyl-10H-phenothiazin-3-yl)ethenyl]-
CAS No: 863545-34-0 Catalog No: AG004M7U MDL No:
Product Description
Catalog Number:
AG004M7U
Chemical Name:
Benzaldehyde, 3,5-bis[2-(10-hexyl-10H-phenothiazin-3-yl)ethenyl]-
CAS Number:
863545-34-0
Molecular Formula:
C47H48N2OS2
Molecular Weight:
721.0268
IUPAC Name:
3,5-bis[2-(10-hexylphenothiazin-3-yl)ethenyl]benzaldehyde
InChI:
InChI=1S/C47H48N2OS2/c1-3-5-7-13-27-48-40-15-9-11-17-44(40)51-46-32-35(23-25-42(46)48)19-21-37-29-38(31-39(30-37)34-50)22-20-36-24-26-43-47(33-36)52-45-18-12-10-16-41(45)49(43)28-14-8-6-4-2/h9-12,15-26,29-34H,3-8,13-14,27-28H2,1-2H3
InChI Key:
BYGDBPBYISVCKH-UHFFFAOYSA-N
SMILES:
CCCCCCN1c2ccc(cc2Sc2c1cccc2)C=Cc1cc(C=Cc2ccc3c(c2)Sc2c(N3CCCCCC)cccc2)cc(c1)C=O
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
720.321g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
721.034g/mol
Monoisotopic Mass:
720.321g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
14.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.