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139167-47-8 | 1H-Naphth[2,3-d]imidazolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3-diethyl-,chloride (1:1)
CAS No: 139167-47-8 Catalog No: AG007ZH0 MDL No:
Product Description
Catalog Number:
AG007ZH0
Chemical Name:
1H-Naphth[2,3-d]imidazolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3-diethyl-,chloride (1:1)
CAS Number:
139167-47-8
Molecular Formula:
C29H34N3+
Molecular Weight:
424.6004
IUPAC Name:
1,3-diethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-2-enyl]-1,2-dihydrobenzo[f]benzimidazol-1-ium
InChI:
InChI=1S/C29H33N3/c1-6-31-25-19-21-13-8-9-14-22(21)20-26(25)32(7-2)28(31)18-12-17-27-29(3,4)23-15-10-11-16-24(23)30(27)5/h8-16,19-20,28H,6-7,18H2,1-5H3/p+1
InChI Key:
QZQKZGHOWJOTJZ-UHFFFAOYSA-O
SMILES:
CCN1C(CC=C=C2N(C)c3c(C2(C)C)cccc3)[NH+](c2c1cc1ccccc1c2)CC
Properties
Complexity:
735
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.275g/mol
Formal Charge:
1
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.612g/mol
Monoisotopic Mass:
424.275g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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