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Chemical ID: 6389038
Chemical ID:
6389038
Name [?]:
N-(3,3-diphenylpropyl)naphthalene-1-carboxamide
SMILES [?]:
c1ccc(cc1)C(CCNC(=O)c2cccc3c2cccc3)c4ccccc4
InChi [?]:
InChI=1/C26H23NO/c28-26(25-17-9-15-22-14-7-8-16-24(22)25)27-19-18-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,23H,18-19H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,21,20,15,3,5,24,28,22,16,19,14,8,9,4,23,17,7,18,13,11,10,12/E:(1,2)(3,4,5,6)(10,11,12,13)(20,21)/rA:28nCCCCCCCCCNCOCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s7;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23NO |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8247 |
Area: | 607.86 |
Solvation: | -2.37185 |
Coulombic: | -28.1204 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.41 |
LogP (Chemaxon): | 5.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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