Chemical ID: 6685105

c1ccc2c(c1)nc(o2)c3ccc(cc3)C=Cc4ccc(cc4)c5nc6ccccc6o5
Chemical ID:
6685105
Name [?]:
2-[4-[2-(4-benzooxazol-2-ylphenyl)vinyl]phenyl]benzooxazole
SMILES [?]:
c1ccc2c(c1)nc(o2)c3ccc(cc3)C=Cc4ccc(cc4)c5nc6ccccc6o5
InChi [?]:
InChI=1/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H
InChi Info:
AuxInfo=1/0/N:1,28,2,29,6,27,3,30,16,17,12,14,19,23,11,15,20,22,13,18,10,21,5,26,4,31,8,24,7,25,9,32/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)(31,32)/rA:32nCCCCCCNCOCCCCCCCCCCCCCCCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s20;d21;d18s22;s21;d24;s25;s26;d27;s28;d29;d26s30;s24s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H18N2O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.4827
Area:638.223
Solvation:-2.47288
Coulombic:-34.9035
Bond Count [?]
All:37
Single:22
Double:15
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:414.455
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.93
LogP (Chemaxon):8.2

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Descriptor Annotations

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