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Chemical ID: 4988224

C[N+](C)(CC[N+](C)(C)C(Cc1ccccc1)c2ccccc2)C(Cc3ccccc3)c4ccccc4

Chemical ID:

4988224

Name [?]:

1,2-diphenylethyl-[2-(1,2-diphenylethyl-dimethyl-ammonio)ethyl]-dimethyl-ammonium

SMILES [?]:

C[N+](C)(CC[N+](C)(C)C(Cc1ccccc1)c2ccccc2)C(Cc3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C34H42N2/c1-35(2,33(31-21-13-7-14-22-31)27-29-17-9-5-10-18-29)25-26-36(3,4)34(32-23-15-8-16-24-32)28-30-19-11-6-12-20-30/h5-24,33-34H,25-28H2,1-4H3/q+2

InChi Info:

AuxInfo=1/0/N:1,3,7,8,28,14,34,20,27,29,13,15,33,35,19,21,26,30,12,16,32,36,18,22,4,5,24,10,25,11,31,17,23,9,2,6/E:(1,2,3,4)(5,6)(7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/CRV:35+1,36+1/rA:36cCN+CCCN+CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;d17s21;s2;s23;s24;s25;d26;s27;d28;d25s29;s23;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₄H₄₂N₂₊₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	2

ZAP Information [?]

Total:	-69.6706
Area:	702.662
Solvation:	-87.2371
Coulombic:	80.8917

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	478.711
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.73
LogP (Chemaxon):	-1.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value