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Chemical ID: 6655893

CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(C)C

Chemical ID:

6655893

Name [?]:

[4-[(4-diethylaminophenyl)-(4-dimethylaminophenyl)-methylene]-1-cyclohexa-2,5-dienylidene]-diethyl-ammonium

SMILES [?]:

CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(C)C

InChi [?]:

InChI=1/C29H38N3/c1-7-31(8-2)27-19-13-24(14-20-27)29(23-11-17-26(18-12-23)30(5)6)25-15-21-28(22-16-25)32(9-3)10-4/h11-22H,7-10H2,1-6H3/q+1

InChi Info:

AuxInfo=1/0/N:1,5,19,21,31,32,2,4,18,20,25,29,8,10,14,23,26,28,7,11,15,22,24,9,13,27,6,16,12,30,3,17/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18)(19,20,21,22)(24,25)(27,28)(31,32)/CRV:32+1/rA:32nCCNCCCCCCCCCCCCCN+CCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s13;d14;s15;d16;s17;s18;s17;s20;s16;s13d22;s12;s24;d25;s26;d27;d24s28;s27;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₈N₃₊
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	-9.81451
Area:	718.838
Solvation:	-27.7855
Coulombic:	4.52021

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	428.632
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.17
LogP (Chemaxon):	3.93

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