Chemical ID: 5106201

Cc1cc(c(c(c1C(=O)C=Cc2ccccc2)C)C(=O)C=Cc3ccccc3)C
Chemical ID:
5106201
Name [?]:
3-phenyl-1-[2,4,6-trimethyl-3-(3-phenylprop-2-enoyl)phenyl]-prop-2-en-1-one
SMILES [?]:
Cc1cc(c(c(c1C(=O)C=Cc2ccccc2)C)C(=O)C=Cc3ccccc3)C
InChi [?]:
InChI=1/C27H24O2/c1-19-18-20(2)27(25(29)17-15-23-12-8-5-9-13-23)21(3)26(19)24(28)16-14-22-10-6-4-7-11-22/h4-18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,18,15,26,14,16,25,27,13,17,24,28,11,22,10,21,3,2,4,6,12,23,8,19,7,5,9,20/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(19,20)(22,23)(24,25)(26,27)(28,29)/rA:29nCCCCCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s6;s5;d19;s19;w21;s22;s23;d24;s25;d26;d23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3678
Area:596.678
Solvation:-3.5492
Coulombic:-20.707
Bond Count [?]
All:31
Single:18
Double:13
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:380.478
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.98
LogP (Chemaxon):7.38

Name Annotations

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Descriptor Annotations

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