Chemical ID: 6689041

CC(C)(C)c1ccnc(c1)c2cc(cc(n2)c3cc(ccn3)C(C)(C)C)C(C)(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue