Chemical ID: 6689490

CC(C)(c1ccccc1)c2cc(c(c(c2)n3nc4ccccc4n3)O)C(C)(C)c5ccccc5
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

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Experimental Annotations

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Descriptor Annotations

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