Agn-PC-0lovzi

15,42-bis(hexoxymethyl)-8,22,35,49-tetrakis(oxan-2-yloxymethyl)-3,27,30,54-tetrazaundecacyclo[50.2.2.22,5.225,28.229,32.16,10.113,17.120,24.133,37.140,44.147,51]octahexaconta-1(54),2,4,6(66),7,9,13(65),14,16,20,22,24(64),25,27,29,31,33(59),34,36,40,42,44(58),47,49,51(57),52,55,60,62,67-triacontaen-11,18,38,45-tetrayne

Also Known As: AGN-PC-0LOVZI|J1.686.458G|15,42-bis[(hexyloxy)methyl]-8,22,35,49-tetrakis[(oxan-2-yloxy)methyl]-3,27,30,54-tetraazaundecacyclo[50.2.2.22,5.225,28.229,32.16,10.113,17.120,24.133,37.140,44.147,51]octahexaconta-1(55),2(68),3,5(67),6,8,10(66),13,15,17(65),20,22,24(64),25(63),26,28(62),29(61),30,32(60),33,35,37(59),40(58),41,43,47,49,51(57),52(56),53-triacontaen-11,18,38,45-tetrayne|2,2',2'',2'''-[{7~5~,16~5~-Bis[(hexyloxy)methyl]-2,11(5,2),3,12(2,5)-tetrapyridina-1,4,7,10,13,16(1,3)-hexabenzenacyclooctadecaphane-5,8,14,17-tetrayne-1~5~,4~5~,10~5~,13~5~-tetrayl}tetrakis(methyleneoxy)]tetrakis(oxane)|5,5 -[[5-(Hexyloxymethyl)-1,3-phenylene]bisethynylenebis[5-(tetrahydro-2H-pyran-2-yloxymethyl)-3,1-phenylene]]-5 ,5 -[[5-(hexyloxymethyl)-1,3-phenylene]bisethynylenebis[5-(tetrahydro-2H-pyran-2-yloxymethyl)-3,1-phenylene]]bis(2,2 -bipyridine)

Molecular Formula	C102H104N4O10
Molecular Weight	1544.7753 g/mol
LogP	23.75092
Topological Polar Surface Area	143.86 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	14
Rotatable Bonds	26
Exact Mass	1544.7753
Monoisotopic Mass	1545.7786
Heavy Atoms	116
Complexity	4852.7427

Chemical Identifiers

CAS Number	7225-15-2
SMILES	CCCCCCOCC1=CC2=CC(=C1)C#CC3=CC(=CC(=C3)C4=CN=C(C=C4)C5=NC=C(C=C5)C6=CC(=CC(=C6)COC7CCCCO7)C#CC8=CC(=CC(=C8)C#CC9=CC(=CC(=C9)C1=CN=C(C=C1)C1=NC=C(C=C1)C1=CC(=CC(=C1)COC1CCCCO1)C#C2)COC1CCCCO1)COCCCCCC)COC1CCCCO1