Chemical ID: 4927063

c1ccc2c(c1)N(c3ccccc3S2)CCCN4c5ccccc5Sc6c4cccc6
Chemical ID:
4927063
Name [?]:
10-(3-phenothiazin-10-ylpropyl)phenothiazine
SMILES [?]:
c1ccc2c(c1)N(c3ccccc3S2)CCCN4c5ccccc5Sc6c4cccc6
InChi [?]:
InChI=1/C27H22N2S2/c1-5-14-24-20(10-1)28(21-11-2-6-15-25(21)30-24)18-9-19-29-22-12-3-7-16-26(22)31-27-17-8-4-13-23(27)29/h1-8,10-17H,9,18-19H2
InChi Info:
AuxInfo=1/0/N:1,10,21,29,2,11,22,30,16,6,9,20,28,3,12,23,31,15,17,5,8,19,27,4,13,24,26,7,18,14,25/E:(1,2,3,4)(5,6,7,8)(10,11,12,13)(14,15,16,17)(18,19)(20,21,22,23)(24,25,26,27)(28,29)(30,31)/rA:31nCCCCCCNCCCCCCSCCCNCCCCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s7;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s18s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H22N2S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9732
Area:608.945
Solvation:-2.25039
Coulombic:-18.2197
Bond Count [?]
All:36
Single:24
Double:12
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:438.609
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:8.33
LogP (Chemaxon):7.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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