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Chemical ID: 7039986

c1ccc(cc1)C=CC(=O)Oc2ccccc2C=CC(=O)c3ccc(cc3)c4ccccc4

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value