N,N-dimethyl-4-[3-(2-nitro-9H-fluoren-9-ylidene)prop-1-en-1-yl]aniline(CAS No. 5454-43-3)

Details:

【Name】
N,N-dimethyl-4-[3-(2-nitro-9H-fluoren-9-ylidene)prop-1-en-1-yl]aniline
【Iupac name】
N,N-dimethyl-4-[3-(2-nitrofluoren-9-ylidene)prop-1-enyl]aniline
【CAS Registry number】
5454-43-3
【Synonyms】
AC1L5HCS
5454-43-3
N,N-dimethyl-4-[3-(2-nitrofluoren-9-ylidene)prop-1-enyl]aniline
【Molecular Formula】
C24H20N2O2 (Products with the same molecular formula)
【Molecular Weight】
368.4278
【Inchi】
InChI=1/C24H20N2O2/c1-25(2)18-12-10-17(11-13-18)6-5-9-22-20-7-3-4-8-21(20)23-15-14-19(26(27)28)16-24(22)23/h3-16H,1-2H3
【Canonical SMILES】
CN(C)C1=CC=C(C=C1)C=CC=C2C3=CC=CC=C3C4=C2C=C(C=C4)[N+](=O)[O-]
【MOL File】
5454-43-3.mol
Chemical and Physical Properties
【Density】
1.296g/cm3
【Boiling Point】
612°C at 760 mmHg
【Refractive Index】
1.754
【Flash Point】
323.9°C
【Computed Properties】
Molecular Weight:368.4278 [g/mol]
Molecular Formula:C24H20N2O2
XLogP3-AA:5.7
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:368.152478
MonoIsotopic Mass:368.152478
Topological Polar Surface Area:49.1
Heavy Atom Count:28
Formal Charge:0
Complexity:613
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:4
Conformer Sampling RMSD:0.8
CID Conformer Count:1