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Chemical ID: 6677801
Chemical ID:
6677801
Name [?]:
2-methoxy-1,3,5-triphenyl-benzene
SMILES [?]:
COc1c(cc(cc1c2ccccc2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C25H20O/c1-26-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21/h2-18H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,12,24,17,19,11,13,23,25,16,20,10,14,22,26,7,5,15,9,21,6,8,4,3,2/E:(3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18)(20,21)(23,24)/rA:26nCOCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;d9s13;s6;s15;d16;s17;d18;d15s19;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5797 |
Area: | 554.172 |
Solvation: | -2.27463 |
Coulombic: | -14.0904 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.426 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.76 |
LogP (Chemaxon): | 6.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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