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Chemical ID: 5338926

c1ccc(cc1)c2c3ccccc3c(nn2)NCCCCCCNc4c5ccccc5c(nn4)c6ccccc6

Chemical ID:

5338926

Name [?]:

N,N'-bis(4-phenylphthalazin-1-yl)hexane-1,6-diamine

SMILES [?]:

c1ccc(cc1)c2c3ccccc3c(nn2)NCCCCCCNc4c5ccccc5c(nn4)c6ccccc6

InChi [?]:

InChI=1/C34H32N6/c1(13-23-35-33-29-21-11-9-19-27(29)31(37-39-33)25-15-5-3-6-16-25)2-14-24-36-34-30-22-12-10-20-28(30)32(38-40-34)26-17-7-4-8-18-26/h3-12,15-22H,1-2,13-14,23-24H2,(H,35,39)(H,36,40)

InChi Info:

AuxInfo=1/1/N:20,21,1,38,2,6,37,39,10,29,11,28,19,22,3,5,36,40,9,30,12,27,18,23,4,35,8,31,13,26,7,32,14,25,17,24,16,33,15,34/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)(37,38)(39,40)/gE:(1,2)/rA:40nCCCCCCCCCCCCCCNNNCCCCCCNCCCCCCCCNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s14;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;d29;d26s30;s31;d32;d25s33;s32;s35;d36;s37;d38;d35s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₄H₃₂N₆
All Atoms:	40
Heavy Atoms:	40
Chiral Atoms:	0

ZAP Information [?]

Total:	17.7146
Area:	833.777
Solvation:	-3.12981
Coulombic:	-39.1222

Bond Count [?]

All:	45
Single:	29
Double:	16
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	524.658
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	8.44
LogP (Chemaxon):	6.64

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value