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Chemical ID: 4957149
Chemical ID:
4957149
Name [?]:
2,4,6-triphenylbenzoic acid
SMILES [?]:
c1ccc(cc1)c2cc(c(c(c2)c3ccccc3)C(=O)O)c4ccccc4
InChi [?]:
InChI=1/C25H18O2/c26-25(27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,16,25,2,6,15,17,24,26,3,5,14,18,23,27,12,8,4,13,22,7,11,9,10,19,20,21/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(19,20)(22,23)(26,27)/rA:27nCCCCCCCCCCCCCCCCCCCOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;d13s17;s10;d19;s19;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7281 |
Area: | 557.578 |
Solvation: | -2.21133 |
Coulombic: | -33.7667 |
Bond Count [?]
All: | 30 |
Single: | 17 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.409 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.46 |
LogP (Chemaxon): | 6.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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