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262607-26-1 | 3H-Indolium, 2-[2-[5-[2-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl]ethenyl]-3,3-dimethyl-1-phenyl-, tetrafluoroborate(1-) (1:1)
CAS No: 262607-26-1 Catalog No: AG002SI2 MDL No:
Product Description
Catalog Number:
AG002SI2
Chemical Name:
3H-Indolium, 2-[2-[5-[2-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl]ethenyl]-3,3-dimethyl-1-phenyl-, tetrafluoroborate(1-) (1:1)
CAS Number:
262607-26-1
IUPAC Name:
(2E)-2-[(2Z)-2-[3-[(E)-2-(3,3-dimethyl-1-phenylindol-1-ium-2-yl)ethenyl]-2H-pyran-5-ylidene]ethylidene]-3,3-dimethyl-1-phenylindole;tetrafluoroborate
InChI:
InChI=1S/C41H39N2O.BF4/c1-40(2)34-19-11-13-21-36(34)42(32-15-7-5-8-16-32)38(40)25-23-30-27-31(29-44-28-30)24-26-39-41(3,4)35-20-12-14-22-37(35)43(39)33-17-9-6-10-18-33;2-1(3,4)5/h5-27H,28-29H2,1-4H3;/q+1;-1
InChI Key:
LDKHKDNEQKVSNS-UHFFFAOYSA-N
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
662.309g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
662.58g/mol
Monoisotopic Mass:
662.309g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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