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Chemical ID: 6637812
Chemical ID:
6637812
Name [?]:
1-phenyl-N-trityl-methanamine
SMILES [?]:
c1ccc(cc1)CNC(c2ccccc2)(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C26H23N/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,27H,21H2
InChi Info:
AuxInfo=1/0/N:1,13,19,25,2,6,12,14,18,20,24,26,3,5,11,15,17,21,23,27,7,4,10,16,22,9,8/E:(2,3,4)(5,6)(7,8,9,10,11,12)(13,14)(15,16,17,18,19,20)(23,24,25)/rA:27nCCCCCCCNCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23N |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.346 |
Area: | 557.241 |
Solvation: | -1.58498 |
Coulombic: | -17.5286 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.468 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.79 |
LogP (Chemaxon): | 6.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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