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Chemical ID: 6689490
Chemical ID:
6689490
Name [?]:
2-benzotriazol-2-yl-4,6-bis(1-methyl-1-phenyl-ethyl)-phenol
SMILES [?]:
CC(C)(c1ccccc1)c2cc(c(c(c2)n3nc4ccccc4n3)O)C(C)(C)c5ccccc5
InChi [?]:
InChI=1/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,27,28,7,32,6,8,31,33,20,21,5,9,30,34,19,22,11,15,4,29,10,12,18,23,14,13,2,26,17,24,16,25/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(25,26)(31,32)/rA:34nCCCCCCCCCCCCCCCNNCCCCCCNOCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s14;s16;d17;s18;d19;s20;d21;s18s22;s16d23;s13;s12;s26;s26;s26;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H29N3O |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6069 |
Area: | 665.013 |
Solvation: | -3.01837 |
Coulombic: | -27.3909 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 447.571 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 10.2 |
LogP (Chemaxon): | 9.12 |
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
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