Chemical ID: 6887419

c1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc4c(c3)occ(c4=O)Oc5ccc6ccccc6c5
Chemical ID:
6887419
Name [?]:
[3-(2-naphthyloxy)-4-oxo-chromen-7-yl] 4-phenylbenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc4c(c3)occ(c4=O)Oc5ccc6ccccc6c5
InChi [?]:
InChI=1/C32H20O5/c33-31-28-17-16-27(37-32(34)24-12-10-23(11-13-24)21-6-2-1-3-7-21)19-29(28)35-20-30(31)36-26-15-14-22-8-4-5-9-25(22)18-26/h1-20H
InChi Info:
AuxInfo=1/0/N:1,2,6,33,34,3,5,32,35,8,12,9,11,30,29,17,18,37,21,23,4,31,7,10,36,28,16,19,20,24,25,13,26,14,22,27,15/E:(2,3)(6,7)(10,11)(12,13)/rA:37nCCCCCCCCCCCCCOOCCCCCCOCCCOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s19s24;d25;s24;s27;s28;d29;s30;s31;d32;s33;d34;d31s35;d28s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H20O5
All Atoms:57
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:14.1449
Area:730.381
Solvation:-4.11466
Coulombic:-48.5203
Bond Count [?]
All:42
Single:25
Double:17
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:484.498
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:8.19
LogP (Chemaxon):7.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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