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Chemical ID: 6500614

CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C

Chemical ID:

6500614

Name [?]:

[4-[(4-dimethylaminophenyl)-(4-methylaminophenyl)-methylene]-1-cyclohexa-2,5-dienylidene]-dimethyl-ammonium

SMILES [?]:

CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C

InChi [?]:

InChI=1/C24H27N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17H,1-5H3/p+1

InChi Info:

AuxInfo=1/5/N:1,15,16,26,27,5,7,11,18,20,24,4,8,12,17,21,23,6,10,19,3,13,22,9,2,14,25/E:(2,3,4,5)(6,7)(8,9,10,11)(12,13)(14,15,16,17)(19,20)(22,23)(26,27)/rA:27nCNCCCCCCCCCCCN+CCCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s12;d13;s14;s14;s13;s10d17;s9;s19;d20;s21;d22;d19s23;s22;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₃₊
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	-14.8992
Area:	608.083
Solvation:	-30.1013
Coulombic:	1.86893

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	358.499
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.92
LogP (Chemaxon):	1.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value