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Chemical ID: 7039986
Chemical ID:
7039986
Name [?]:
[2-[3-oxo-3-(4-phenylphenyl)-prop-1-enyl]phenyl] 3-phenylprop-2-enoate
SMILES [?]:
c1ccc(cc1)C=CC(=O)Oc2ccccc2C=CC(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H22O3/c31-28(26-18-16-25(17-19-26)24-11-5-2-6-12-24)21-20-27-13-7-8-14-29(27)33-30(32)22-15-23-9-3-1-4-10-23/h1-22H
InChi Info:
AuxInfo=1/0/N:1,31,2,6,30,32,15,14,3,5,29,33,16,13,7,24,26,23,27,18,19,8,4,28,25,22,17,20,12,9,21,10,11/E:(3,4)(5,6)(9,10)(11,12)(16,17)(18,19)/rA:33nCCCCCCCCCOOCCCCCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H22O3 |
All Atoms: | 55 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2711 |
Area: | 713.351 |
Solvation: | -3.56266 |
Coulombic: | -34.0614 |
Bond Count [?]
All: | 36 |
Single: | 20 |
Double: | 16 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 430.494 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 7.56 |
LogP (Chemaxon): | 7.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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