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Chemical ID: 5569402

Cc1cc(c(cc1N=Nc2c3ccccc3ccc2O)N=Nc4c5ccccc5ccc4O)C

Chemical ID:

5569402

Name [?]:

1-[5-[(2-hydroxy-1-naphthyl)azo]-2,4-dimethyl-phenyl]azonaphthalen-2-ol

SMILES [?]:

Cc1cc(c(cc1N=Nc2c3ccccc3ccc2O)N=Nc4c5ccccc5ccc4O)C

InChi [?]:

InChI=1/C28H22N4O2/c1-17-15-18(2)24(30-32-28-22-10-6-4-8-20(22)12-14-26(28)34)16-23(17)29-31-27-21-9-5-3-7-19(21)11-13-25(27)33/h3-16,33-34H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,34,14,27,13,26,15,28,12,25,17,30,18,31,3,6,2,4,16,29,11,24,7,5,19,32,10,23,8,21,9,22,20,33/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34nCCCCCCCNNCCCCCCCCCCONNCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;s5;w21;s22;s23;s24;d25;s26;d27;d24s28;s29;d30;d23s31;s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₂N₄O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0911
Area:	550.643
Solvation:	-3.67494
Coulombic:	-43.4863

Bond Count [?]

All:	38
Single:	23
Double:	15
Rotors:	4
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	446.5
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	8.43
LogP (Chemaxon):	9.02

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