Chemical ID: 6677801

COc1c(cc(cc1c2ccccc2)c3ccccc3)c4ccccc4
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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