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Chemical ID: 6540858
Chemical ID:
6540858
Name [?]:
10-[(4-phenylphenyl)methylene]anthracen-9-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C=C3c4ccccc4C(=O)c5c3cccc5
InChi [?]:
InChI=1/C27H18O/c28-27-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)27)18-19-14-16-21(17-15-19)20-8-2-1-3-9-20/h1-18H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,26,18,27,3,5,16,25,19,28,9,11,8,12,13,10,4,7,15,24,20,23,14,21,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(22,23)(24,25)/rA:28nCCCCCCCCCCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;w13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s14s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H18O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9527 |
Area: | 557.827 |
Solvation: | -1.99299 |
Coulombic: | -15.5851 |
Bond Count [?]
All: | 32 |
Single: | 18 |
Double: | 14 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 358.431 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.99 |
LogP (Chemaxon): | 6.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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