6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate

C168H339N31O29S — CID 161237598

IUPAC6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate
SMILESCC(O)CCCCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCNCCN)CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CCN(CCN(CCNCC(C)O)CCN(CCN(CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.Cc1ccc(S(=O)(=O)OCCN(C)c2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C135H300N28O26.C33H39N3O3S/c1-110(164)29-27-28-34-139(52-79-158(98-124(15)178)99-125(16)179)39-55-149(89-115(6)169)68-69-151(91-117(8)171)64-49-145(54-81-160(102-128(19)182)103-129(20)183)50-65-152(92-118(9)172)71-73-157(97-123(14)177)75-74-156(96-122(13)176)72-70-150(90-116(7)170)63-46-142(37-38-143(47-66-154(94-120(11)174)77-83-162(106-132(23)186)107-133(24)187)45-60-146(86-112(3)166)56-40-140(35-32-137-31-30-136)41-59-153(93-119(10)173)76-82-161(104-130(21)184)105-131(22)185)44-61-147(87-113(4)167)57-42-141(36-33-138-85-111(2)165)43-58-148(88-114(5)168)62-48-144(53-80-159(100-126(17)180)101-127(18)181)51-67-155(95-121(12)175)78-84-163(108-134(25)188)109-135(26)189;1-25-7-21-32(22-8-25)40(37,38)39-24-23-36(6)31-19-13-28(14-20-31)33(26-9-15-29(16-10-26)34(2)3)27-11-17-30(18-12-27)35(4)5/h110-135,137-138,164-189H,27-109,136H2,1-26H3;7-22,33H,23-24H2,1-6H3
InChIKeyUZOSHASBQZRXGQ-UHFFFAOYSA-N
MW3289.81 g/mol
LogP-2.11
Rot. Bonds146

About 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate

6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate (PubChem CID 161237598) has the molecular formula C168H339N31O29S and a molecular weight of 3289.81 g/mol. Its IUPAC name is 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate.

Molecular Properties

Compound Name6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate
PubChem CID161237598
Molecular FormulaC168H339N31O29S
Molecular Weight3289.81 g/mol
Exact Mass3287.57
IUPAC Name6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate
SMILESCC(O)CCCCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCNCCN)CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CCN(CCN(CCNCC(C)O)CCN(CCN(CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.Cc1ccc(S(=O)(=O)OCCN(C)c2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C135H300N28O26.C33H39N3O3S/c1-110(164)29-27-28-34-139(52-79-158(98-124(15)178)99-125(16)179)39-55-149(89-115(6)169)68-69-151(91-117(8)171)64-49-145(54-81-160(102-128(19)182)103-129(20)183)50-65-152(92-118(9)172)71-73-157(97-123(14)177)75-74-156(96-122(13)176)72-70-150(90-116(7)170)63-46-142(37-38-143(47-66-154(94-120(11)174)77-83-162(106-132(23)186)107-133(24)187)45-60-146(86-112(3)166)56-40-140(35-32-137-31-30-136)41-59-153(93-119(10)173)76-82-161(104-130(21)184)105-131(22)185)44-61-147(87-113(4)167)57-42-141(36-33-138-85-111(2)165)43-58-148(88-114(5)168)62-48-144(53-80-159(100-126(17)180)101-127(18)181)51-67-155(95-121(12)175)78-84-163(108-134(25)188)109-135(26)189;1-25-7-21-32(22-8-25)40(37,38)39-24-23-36(6)31-19-13-28(14-20-31)33(26-9-15-29(16-10-26)34(2)3)27-11-17-30(18-12-27)35(4)5/h110-135,137-138,164-189H,27-109,136H2,1-26H3;7-22,33H,23-24H2,1-6H3
InChIKeyUZOSHASBQZRXGQ-UHFFFAOYSA-N
XLogP-2.11
TPSA710.15 Ų
H-Bond Donors29
H-Bond Acceptors60
Rotatable Bonds146
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003289.81
LogP ≤ 5-2.11
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate?
The IUPAC name of 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate (CID 161237598) is 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate.
What is the SMILES notation for 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate?
The canonical SMILES for 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate is CC(O)CCCCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCN(CCNCCN)CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CCN(CCN(CCNCC(C)O)CCN(CCN(CCN(CCN(CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.Cc1ccc(S(=O)(=O)OCCN(C)c2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1.
What is the InChIKey of 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate?
The InChIKey is UZOSHASBQZRXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C135H300N28O26.C33H39N3O3S/c1-110(164)29-27-28-34-139(52-79-158(98-124(15)178)99-125(16)179)39-55-149(89-115(6)169)68-69-151(91-117(8)171)64-49-145(54-81-160(102-128(19)182)103-129(20)183)50-65-152(92-118(9)172)71-73-157(97-123(14)177)75-74-156(96-122(13)176)72-70-150(90-116(7)170)63-46-142(37-38-143(47-66-154(94-120(11)174)77-83-162(106-132(23)186)107-133(24)187)45-60-146(86-112(3)166)56-40-140(35-32-137-31-30-136)41-59-153(93-119(10)173)76-82-161(104-130(21)184)105-131(22)185)44-61-147(87-113(4)167)57-42-141(36-33-138-85-111(2)165)43-58-148(88-114(5)168)62-48-144(53-80-159(100-126(17)180)101-127(18)181)51-67-155(95-121(12)175)78-84-163(108-134(25)188)109-135(26)189;1-25-7-21-32(22-8-25)40(37,38)39-24-23-36(6)31-19-13-28(14-20-31)33(26-9-15-29(16-10-26)34(2)3)27-11-17-30(18-12-27)35(4)5/h110-135,137-138,164-189H,27-109,136H2,1-26H3;7-22,33H,23-24H2,1-6H3.
What are the key properties of 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate?
6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate has a molecular weight of 3289.81 g/mol, XLogP of -2.11, 146 rotatable bonds, 29 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethyl 4-methylbenzenesulfonate is sourced from PubChem (CID 161237598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).