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Chemical ID: 5164838
Chemical ID:
5164838
Name [?]:
5-benzhydryl-2-benzyloxy-1,3-dimethyl-benzene
SMILES [?]:
Cc1cc(cc(c1OCc2ccccc2)C)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C28H26O/c1-21-18-26(19-22(2)28(21)29-20-23-12-6-3-7-13-23)27(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,27H,20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,13,21,27,12,14,20,22,26,28,11,15,19,23,25,29,3,5,9,2,6,10,18,24,4,17,7,8/E:(1,2)(4,5)(6,7)(8,9,10,11)(12,13)(14,15,16,17)(18,19)(21,22)(24,25)/rA:29nCCCCCCCOCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s6;s4;s17;s18;d19;s20;d21;d18s22;s17;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8348 |
Area: | 616.507 |
Solvation: | -2.57791 |
Coulombic: | -14.7012 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.505 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.73 |
LogP (Chemaxon): | 8.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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