CID 34884145
PubChem CID
34884145
Structure
Molecular Formula
Status
Non-live
Molecular Weight
437.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-[2-[4-(2,2-diphenylethylamino)phenyl]ethyl]-3-nitroaniline
InChI=1S/C28H27N3O2/c32-31(33)27-13-7-12-26(20-27)29-19-18-22-14-16-25(17-15-22)30-21-28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-17,20,28-30H,18-19,21H2
DSOHLJLGDYAHIS-UHFFFAOYSA-N
C1=CC=C(C=C1)C(CNC2=CC=C(C=C2)CCNC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4
C28H27N3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
437.5 g/mol
Property Name
XLogP3-AA
Property Value
7.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
437.21032711 g/mol
Property Name
Monoisotopic Mass
Property Value
437.21032711 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.9 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
542
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
Old substance
CONTENTS