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Chemical ID: 7468160
Chemical ID:
7468160
Name [?]:
2-(3-phenoxyphenyl)-1,3-diphenyl-imidazolidine
SMILES [?]:
c1ccc(cc1)N2CCN(C2c3cccc(c3)Oc4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C27H24N2O/c1-4-12-23(13-5-1)28-19-20-29(24-14-6-2-7-15-24)27(28)22-11-10-18-26(21-22)30-25-16-8-3-9-17-25/h1-18,21,27H,19-20H2
InChi Info:
AuxInfo=1/0/N:1,28,22,2,6,27,29,21,23,14,13,3,5,26,30,20,24,15,8,9,17,12,4,25,19,16,11,7,10,18/E:(1,2)(4,5,6,7)(8,9)(12,13,14,15)(16,17)(19,20)(23,24)(28,29)/rA:30cCCCCCCNCCNCCCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s21;d22;d19s23;s10;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24N2O |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.3435 |
Area: | 568.614 |
Solvation: | -2.87189 |
Coulombic: | -25.9741 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.492 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 7.47 |
LogP (Chemaxon): | 7.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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