Chemical ID: 5606088

c1ccc(cc1)c2ccc(c(c2)CN3CCN(CC3)Cc4cc(ccc4O)c5ccccc5)O
Chemical ID:
5606088
Name [?]:
2-[[4-[(2-hydroxy-5-phenyl-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-phenol
SMILES [?]:
c1ccc(cc1)c2ccc(c(c2)CN3CCN(CC3)Cc4cc(ccc4O)c5ccccc5)O
InChi [?]:
InChI=1/C30H30N2O2/c33-29-13-11-25(23-7-3-1-4-8-23)19-27(29)21-31-15-17-32(18-16-31)22-28-20-26(12-14-30(28)34)24-9-5-2-6-10-24/h1-14,19-20,33-34H,15-18,21-22H2
InChi Info:
AuxInfo=1/0/N:1,31,2,6,30,32,3,5,29,33,8,24,9,25,15,19,16,18,12,22,13,20,4,28,7,23,11,21,10,26,14,17,34,27/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34nCCCCCCCCCCCCCNCCNCCCCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s26;s23;s28;d29;s30;d31;d28s32;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H30N2O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.2453
Area:711.424
Solvation:-4.54027
Coulombic:-46.0882
Bond Count [?]
All:38
Single:26
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:450.571
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.19
LogP (Chemaxon):6.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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