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Chemical ID: 6689041
Chemical ID:
6689041
Name [?]:
4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridyl)-pyridine
SMILES [?]:
CC(C)(C)c1ccnc(c1)c2cc(cc(n2)c3cc(ccn3)C(C)(C)C)C(C)(C)C
InChi [?]:
InChI=1/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3
InChi Info:
AuxInfo=1/0/N:1,3,4,24,25,26,28,29,30,6,20,7,21,10,18,12,14,5,19,13,9,17,11,15,2,23,27,8,22,16/E:(1,2,3,4,5,6)(7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(21,22)(23,24)(25,26)(28,29)/rA:30nCCCCCCCNCCCCCCCNCCCCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s19;d20;d17s21;s19;s23;s23;s23;s13;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H35N3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5021 |
Area: | 649.889 |
Solvation: | -1.74513 |
Coulombic: | -20.2162 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 401.587 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.69 |
LogP (Chemaxon): | 7.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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