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79971-22-5 | 4-[2,2-bis(4-dimethylaminophenyl)ethenyl]naphthalene-1,2-dione
CAS No: 79971-22-5 Catalog No: AG004Z0D MDL No:
Product Description
Catalog Number:
AG004Z0D
Chemical Name:
4-[2,2-bis(4-dimethylaminophenyl)ethenyl]naphthalene-1,2-dione
CAS Number:
79971-22-5
Molecular Formula:
C28H26N2O2
Molecular Weight:
422.5182
IUPAC Name:
4-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalene-1,2-dione
InChI:
InChI=1S/C28H26N2O2/c1-29(2)22-13-9-19(10-14-22)26(20-11-15-23(16-12-20)30(3)4)17-21-18-27(31)28(32)25-8-6-5-7-24(21)25/h5-18H,1-4H3
InChI Key:
VEYHQRRNDSKGMM-UHFFFAOYSA-N
SMILES:
O=C1C=C(C=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)c2c(C1=O)cccc2
NSC Number:
157886
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.199g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.528g/mol
Monoisotopic Mass:
422.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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