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Chemical ID: 4958408
Chemical ID:
4958408
Name [?]:
4-[2-[4-[2-(4-cyanophenyl)vinyl]phenyl]vinyl]benzonitrile
SMILES [?]:
c1cc(ccc1C=Cc2ccc(cc2)C#N)C=Cc3ccc(cc3)C#N
InChi [?]:
InChI=1/C24H16N2/c25-17-23-13-9-21(10-14-23)7-5-19-1-2-20(4-3-19)6-8-22-11-15-24(18-26)16-12-22/h1-16H
InChi Info:
AuxInfo=1/0/N:1,2,5,4,7,17,8,18,10,14,20,24,11,13,21,23,15,25,6,3,9,19,12,22,16,26/E:(1,2,3,4)(5,6)(7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:26nCCCCCCCCCCCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;t15;s3;w17;s18;s19;d20;s21;d22;d19s23;s22;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16N2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.076 |
Area: | 560.133 |
Solvation: | -1.92728 |
Coulombic: | -12.6892 |
Bond Count [?]
All: | 28 |
Single: | 15 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.74 |
LogP (Chemaxon): | 6.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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