Name: Name:(E)-6-Bromo-3-(6-bromo-1-(2-octyldodecyl)-2-oxoindolin-3-ylidene)-1-(2-octyldodecyl)indolin-2-one
Brand: Angene
SKU: AG00HV23
Rating: 90 (10 reviews)

(E)-6-Bromo-3-(6-bromo-1-(2-octyldodecyl)-2-oxoindolin-3-ylidene)-1-(2-octyldodecyl)indolin-2-one

CAS No.:

1375101-06-6

Catalog Number:

AG00HV23

Molecular Formula:

C56H88Br2N2O2

Molecular Weight:

981.1181

Catalog Number:

AG00HV23

Chemical Name:

(E)-6-Bromo-3-(6-bromo-1-(2-octyldodecyl)-2-oxoindolin-3-ylidene)-1-(2-octyldodecyl)indolin-2-one

CAS Number:

1375101-06-6

Molecular Formula:

C56H88Br2N2O2

Molecular Weight:

981.1181

MDL Number:

MFCD30489176

IUPAC Name:

(3E)-6-bromo-3-[6-bromo-1-(2-octyldodecyl)-2-oxoindol-3-ylidene]-1-(2-octyldodecyl)indol-2-one

InChI:

InChI=1S/C56H88Br2N2O2/c1-5-9-13-17-21-23-27-31-35-45(33-29-25-19-15-11-7-3)43-59-51-41-47(57)37-39-49(51)53(55(59)61)54-50-40-38-48(58)42-52(50)60(56(54)62)44-46(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h37-42,45-46H,5-36,43-44H2,1-4H3/b54-53+

InChI Key:

IBVJZYTVOIAPRS-DBFBYELTSA-N

SMILES:

CCCCCCCCCCC(CN1C(=O)/C(=C/2\c3ccc(cc3N(C2=O)CC(CCCCCCCCCC)CCCCCCCC)Br)/c2c1cc(Br)cc2)CCCCCCCC

Complexity:

1150

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

980.519g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

981.14g/mol

Monoisotopic Mass:

978.521g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

22.6