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Chemical ID: 4668040
Chemical ID:
4668040
Name [?]:
2,7-distyryl-9,10-dihydrophenanthrene
SMILES [?]:
c1ccc(cc1)C=Cc2ccc-3c(c2)CCc4c3ccc(c4)C=Cc5ccccc5
InChi [?]:
InChI=1/C30H24/c1-3-7-23(8-4-1)11-13-25-15-19-29-27(21-25)17-18-28-22-26(16-20-30(28)29)14-12-24-9-5-2-6-10-24/h1-16,19-22H,17-18H2
InChi Info:
AuxInfo=1/0/N:1,28,2,6,27,29,3,5,26,30,7,24,8,23,10,20,15,16,11,19,14,22,4,25,9,21,13,17,12,18/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)(27,28)(29,30)/rA:30nCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12s17;d18;s19;d20;d17s21;s21;w23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H24 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.35 |
Area: | 596.198 |
Solvation: | -1.55498 |
Coulombic: | -7.96695 |
Bond Count [?]
All: | 34 |
Single: | 20 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 9.55 |
LogP (Chemaxon): | 8.59 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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