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43217-07-8

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Basic Information
CAS No.: 43217-07-8
Name: 2-((1E,3E)-4-[4-(DIMETHYLAMINO)PHENYL]-1,3-BUTADIENYL)-3,3-DIMETHYL-1-PHENYL-3H-INDOLIUM PERCHLORATE
Molecular Structure:
Molecular Structure of 43217-07-8 (2-((1E,3E)-4-[4-(DIMETHYLAMINO)PHENYL]-1,3-BUTADIENYL)-3,3-DIMETHYL-1-PHENYL-3H-INDOLIUM PERCHLORATE)
Formula: C28H29ClN2O4
Molecular Weight: 492.99
Synonyms: 3H-Indolium,2-[4-[4-(dimethylamino)phenyl]- 1,3-butadienyl]-3,3-dimethyl-1-phenyl-,perchlorate;2-{(1E,3E)-4-[4-(Dimethylamino)phenyl]-1,3-butadienyl}-3,3-dimethyl-1-phenyl-3H-indolium perchlorate (IM OCS);2-{(1E,3E)-4-[4-(Dimethylamino)phenyl]-1,3-butadienyl}-3,3-dimethyl-1-phenyl-3H-indolium perchlorate;
PSA: 80.52000
LogP: 6.60080
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Specification

The PK 4255, with the CAS registry number of 43217-07-8, is also known as 3H-Indolium, 2-[4-[4-(dimethylamino)phenyl]-1, 3-butadienyl]-3, 3-dimethyl-1-phenyl-, perchlorate. This chemical's molecular formula is C28H29ClN2O4 and molecular weight is 492.99. What's more, its systematic name is called 4-[(1E, 3E)-4-(3, 3-Dimethyl-1-phenyl-indol-1-ium-2-yl)buta-1, 3-dienyl]-N, N-dimethyl-aniline perchlorate.

Physical properties about PK 4255 are: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 80.52 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(c2ccccc2[N+](=C1C=CC=Cc3ccc(cc3)N(C)C)c4ccccc4)C.[O-]Cl(=O)(=O)=O
(2) InChI: InChI=1/C28H29N2.ClHO4/c1-28(2)25-15-9-10-16-26(25)30(24-13-6-5-7-14-24)27(28)17-11-8-12-22-18-20-23(21-19-22)29(3)4;2-1(3,4)5/h5-21H,1-4H3;(H,2,3,4,5)/q+1;/p-1
(3) InChIKey: XHQTXVMOISMPJJ-REWHXWOFAZ