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Chemical ID: 5035422
Chemical ID:
5035422
Name [?]:
N,N'-dimethyl-N,N',1,2-tetraphenyl-ethane-1,2-diamine
SMILES [?]:
CN(c1ccccc1)C(c2ccccc2)C(c3ccccc3)N(C)c4ccccc4
InChi [?]:
InChI=1/C28H28N2/c1-29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(2)26-21-13-6-14-22-26/h3-22,27-28H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,13,20,6,28,12,14,19,21,5,7,27,29,11,15,18,22,4,8,26,30,10,17,3,25,9,16,2,23/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)/rA:30cCNCCCCCCCCCCCCCCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;d11;s12;d13;d10s14;s9;s16;s17;d18;s19;d20;d17s21;s16;s23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H28N2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 11.9815 |
Area: | 560.958 |
Solvation: | -2.04246 |
Coulombic: | -19.8746 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 392.535 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.88 |
LogP (Chemaxon): | 8.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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