pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate

C252H273N17Na5O23S7- — CID 158824287

IUPACpentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)Cc3cccc(C)c3)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)c(C)c1.CCN(CC)c1ccc(C(c2ccc(N(CC)Cc3cccc(C)c3)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.CCN(Cc1cccc(C)c1)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.CCOc1ccc(Nc2ccc(C(c3ccc(N(CC)Cc4cccc(C)c4)cc3)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3)cc2)cc1.CCOc1ccc(Nc2ccc(C(c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.CS(=O)(=O)[O-].Cc1ccc(C(=C2/C(=[N+](\C)c3ccccc3)C=Cc3ccccc32)c2ccc(N(C)C)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C47H51N3O7S2.C46H49N3O4S.C43H51N3O3S.C42H49N3O3S.C40H45N3O3S.C33H31N2.CH4O3S.5Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;1-5-48(32-35-11-8-10-34(4)30-35)42-24-16-38(17-25-42)46(37-14-20-40(21-15-37)47-41-22-28-44(29-23-41)53-7-3)39-18-26-43(27-19-39)49(6-2)33-36-12-9-13-45(31-36)54(50,51)52;1-7-44(8-2)40-25-26-42(33(6)28-40)43(36-17-21-38(22-18-36)45(9-3)30-34-14-11-13-32(5)27-34)37-19-23-39(24-20-37)46(10-4)31-35-15-12-16-41(29-35)50(47,48)49;1-6-43(7-2)38-22-16-35(17-23-38)42(36-18-24-39(25-19-36)44(8-3)30-33-13-10-12-32(5)28-33)37-20-26-40(27-21-37)45(9-4)31-34-14-11-15-41(29-34)49(46,47)48;1-6-42(28-31-11-8-10-30(3)26-31)37-22-16-34(17-23-37)40(33-14-20-36(21-15-33)41(4)5)35-18-24-38(25-19-35)43(7-2)29-32-12-9-13-39(27-32)47(44,45)46;1-24-14-16-26(17-15-24)32(27-18-21-28(22-19-27)34(2)3)33-30-13-9-8-10-25(30)20-23-31(33)35(4)29-11-6-5-7-12-29;1-5(2,3)4;;;;;/h9-30,47-48H,6-8,31-32H2,1-5H3,(H,51,52,53)(H,54,55,56);8-31,46-47H,5-7,32-33H2,1-4H3,(H,50,51,52);11-29,43H,7-10,30-31H2,1-6H3,(H,47,48,49);10-29,42H,6-9,30-31H2,1-5H3,(H,46,47,48);8-27,40H,6-7,28-29H2,1-5H3,(H,44,45,46);5-23H,1-4H3;1H3,(H,2,3,4);;;;;/q;;;;;+1;;5*+1/p-7
InChIKeyUUEFFYZWAPDXSR-UHFFFAOYSA-G
MW4247.47 g/mol
LogP37.87
Rot. Bonds80

About pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate

pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate (PubChem CID 158824287) has the molecular formula C252H273N17Na5O23S7- and a molecular weight of 4247.47 g/mol. Its IUPAC name is pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate.

Molecular Properties

Compound Namepentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate
PubChem CID158824287
Molecular FormulaC252H273N17Na5O23S7-
Molecular Weight4247.47 g/mol
Exact Mass4243.83
IUPAC Namepentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)Cc3cccc(C)c3)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)c(C)c1.CCN(CC)c1ccc(C(c2ccc(N(CC)Cc3cccc(C)c3)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.CCN(Cc1cccc(C)c1)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.CCOc1ccc(Nc2ccc(C(c3ccc(N(CC)Cc4cccc(C)c4)cc3)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3)cc2)cc1.CCOc1ccc(Nc2ccc(C(c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.CS(=O)(=O)[O-].Cc1ccc(C(=C2/C(=[N+](\C)c3ccccc3)C=Cc3ccccc32)c2ccc(N(C)C)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C47H51N3O7S2.C46H49N3O4S.C43H51N3O3S.C42H49N3O3S.C40H45N3O3S.C33H31N2.CH4O3S.5Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;1-5-48(32-35-11-8-10-34(4)30-35)42-24-16-38(17-25-42)46(37-14-20-40(21-15-37)47-41-22-28-44(29-23-41)53-7-3)39-18-26-43(27-19-39)49(6-2)33-36-12-9-13-45(31-36)54(50,51)52;1-7-44(8-2)40-25-26-42(33(6)28-40)43(36-17-21-38(22-18-36)45(9-3)30-34-14-11-13-32(5)27-34)37-19-23-39(24-20-37)46(10-4)31-35-15-12-16-41(29-35)50(47,48)49;1-6-43(7-2)38-22-16-35(17-23-38)42(36-18-24-39(25-19-36)44(8-3)30-33-13-10-12-32(5)28-33)37-20-26-40(27-21-37)45(9-4)31-34-14-11-15-41(29-34)49(46,47)48;1-6-42(28-31-11-8-10-30(3)26-31)37-22-16-34(17-23-37)40(33-14-20-36(21-15-33)41(4)5)35-18-24-38(25-19-35)43(7-2)29-32-12-9-13-39(27-32)47(44,45)46;1-24-14-16-26(17-15-24)32(27-18-21-28(22-19-27)34(2)3)33-30-13-9-8-10-25(30)20-23-31(33)35(4)29-11-6-5-7-12-29;1-5(2,3)4;;;;;/h9-30,47-48H,6-8,31-32H2,1-5H3,(H,51,52,53)(H,54,55,56);8-31,46-47H,5-7,32-33H2,1-4H3,(H,50,51,52);11-29,43H,7-10,30-31H2,1-6H3,(H,47,48,49);10-29,42H,6-9,30-31H2,1-5H3,(H,46,47,48);8-27,40H,6-7,28-29H2,1-5H3,(H,44,45,46);5-23H,1-4H3;1H3,(H,2,3,4);;;;;/q;;;;;+1;;5*+1/p-7
InChIKeyUUEFFYZWAPDXSR-UHFFFAOYSA-G
XLogP37.87
TPSA491.29 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds80
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004247.47
LogP ≤ 537.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Analyze pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate with MolForge

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Related Compounds

methyl 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methoxysulfonylphenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
CID 58434971
3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
CID 72556259
sodium 3-[[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazaniumyl]methyl]benzenesulfonate
CID 101129220
[4-[[4-[benzyl(ethyl)amino]phenyl]-[4-(4-ethoxyanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium
CID 140792631
4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N,N-diethylaniline
CID 58133446
2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[methyl-[(3-methylphenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate
CID 158608612
[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium
CID 162045517
sodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
CID 20803
1-N,4-N-bis[4-[bis[4-(diethylamino)-2-methylphenyl]methyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;deuterium monohydride;1-N,4-N-diphenylbenzene-1,4-diamine;4-(N-[4-(N-(4-formylphenyl)anilino)phenyl]anilino)benzaldehyde;methane;4-methylbenzaldehyde
CID 158619001
1-N,4-N-bis[4-[bis[4-(diethylamino)-2-methylphenyl]methyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;deuterium monohydride;1-N,4-N-diphenylbenzene-1,4-diamine;4-(N-[4-(N-(4-formylphenyl)anilino)phenyl]anilino)benzaldehyde;methane;4-methylbenzaldehyde
CID 158892335
[4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(4-ethoxyphenyl)-(2-fluorosulfonylethyl)azanium
CID 134189851
disodium;2-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methyl]-5-hydroxybenzenesulfonic acid
CID 57413636

Frequently Asked Questions

What is the IUPAC name of pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate?
The IUPAC name of pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate (CID 158824287) is pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate.
What is the SMILES notation for pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate?
The canonical SMILES for pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate is CCN(CC)c1ccc(C(c2ccc(N(CC)Cc3cccc(C)c3)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)c(C)c1.CCN(CC)c1ccc(C(c2ccc(N(CC)Cc3cccc(C)c3)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.CCN(Cc1cccc(C)c1)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.CCOc1ccc(Nc2ccc(C(c3ccc(N(CC)Cc4cccc(C)c4)cc3)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3)cc2)cc1.CCOc1ccc(Nc2ccc(C(c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.CS(=O)(=O)[O-].Cc1ccc(C(=C2/C(=[N+](\C)c3ccccc3)C=Cc3ccccc32)c2ccc(N(C)C)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate?
The InChIKey is UUEFFYZWAPDXSR-UHFFFAOYSA-G. The full InChI is InChI=1S/C47H51N3O7S2.C46H49N3O4S.C43H51N3O3S.C42H49N3O3S.C40H45N3O3S.C33H31N2.CH4O3S.5Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;1-5-48(32-35-11-8-10-34(4)30-35)42-24-16-38(17-25-42)46(37-14-20-40(21-15-37)47-41-22-28-44(29-23-41)53-7-3)39-18-26-43(27-19-39)49(6-2)33-36-12-9-13-45(31-36)54(50,51)52;1-7-44(8-2)40-25-26-42(33(6)28-40)43(36-17-21-38(22-18-36)45(9-3)30-34-14-11-13-32(5)27-34)37-19-23-39(24-20-37)46(10-4)31-35-15-12-16-41(29-35)50(47,48)49;1-6-43(7-2)38-22-16-35(17-23-38)42(36-18-24-39(25-19-36)44(8-3)30-33-13-10-12-32(5)28-33)37-20-26-40(27-21-37)45(9-4)31-34-14-11-15-41(29-34)49(46,47)48;1-6-42(28-31-11-8-10-30(3)26-31)37-22-16-34(17-23-37)40(33-14-20-36(21-15-33)41(4)5)35-18-24-38(25-19-35)43(7-2)29-32-12-9-13-39(27-32)47(44,45)46;1-24-14-16-26(17-15-24)32(27-18-21-28(22-19-27)34(2)3)33-30-13-9-8-10-25(30)20-23-31(33)35(4)29-11-6-5-7-12-29;1-5(2,3)4;;;;;/h9-30,47-48H,6-8,31-32H2,1-5H3,(H,51,52,53)(H,54,55,56);8-31,46-47H,5-7,32-33H2,1-4H3,(H,50,51,52);11-29,43H,7-10,30-31H2,1-6H3,(H,47,48,49);10-29,42H,6-9,30-31H2,1-5H3,(H,46,47,48);8-27,40H,6-7,28-29H2,1-5H3,(H,44,45,46);5-23H,1-4H3;1H3,(H,2,3,4);;;;;/q;;;;;+1;;5*+1/p-7.
What are the key properties of pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate?
pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate has a molecular weight of 4247.47 g/mol, XLogP of 37.87, 80 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;[1-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methylidene]naphthalen-2-ylidene]-methyl-phenylazanium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate;methanesulfonate is sourced from PubChem (CID 158824287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).