5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate

C205H276N36O63S12Si8 — CID 159620640

IUPAC5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCC.CCCCCCCCCCCCOC(=O)CCNCCC[Si@](OC)(O[Si](CCCNc1nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)nc(N(CC)c2ccccc2)n1)(OC)OC)O[Si](CCCNc1nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)nc(N(CC)c2ccccc2)n1)(OC)O[Si](CCCNCCC(=O)CCCCCCCCCCCC)(OC)OC.CCN(c1ccccc1)c1nc(NCCC[Si](OC)(OC)O[Si@](CCCN)(OC)O[Si](CCCNc2nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc6ccccc6c5S(=O)(=O)O)c(O)c34)nc(N(CC)c3ccccc3)n2)(OC)O[Si](CCCN)(OC)OC)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)n1
InChIInChI=1S/C110H152N18O32S6Si4.C80H96N18O29S6Si4.C15H28O2/c1-11-15-17-19-21-23-25-27-29-37-53-85(129)60-66-111-62-43-69-167(151-5,152-6)158-170(156-10,72-46-65-114-106-118-108(122-110(120-106)128(14-4)84-51-35-32-36-52-84)116-93-78-87(162(136,137)138)74-82-76-95(164(142,143)144)100(102(132)98(82)93)126-124-91-59-57-80-48-39-41-55-89(80)104(91)166(148,149)150)160-169(155-9,71-44-63-112-67-61-96(130)157-68-42-30-28-26-24-22-20-18-16-12-2)159-168(153-7,154-8)70-45-64-113-105-117-107(121-109(119-105)127(13-3)83-49-33-31-34-50-83)115-92-77-86(161(133,134)135)73-81-75-94(163(139,140)141)99(101(131)97(81)92)125-123-90-58-56-79-47-38-40-54-88(79)103(90)165(145,146)147;1-9-97(55-27-13-11-14-28-55)79-89-75(87-77(91-79)85-63-49-57(128(101,102)103)45-53-47-65(130(107,108)109)69(71(99)67(53)63)95-93-61-35-33-51-25-17-19-31-59(51)73(61)132(113,114)115)83-39-23-43-135(121-5,122-6)126-136(123-7,42-22-38-82)127-137(124-8,125-134(119-3,120-4)41-21-37-81)44-24-40-84-76-88-78(92-80(90-76)98(10-2)56-29-15-12-16-30-56)86-64-50-58(129(104,105)106)46-54-48-66(131(110,111)112)70(72(100)68(54)64)96-94-62-36-34-52-26-18-20-32-60(52)74(62)133(116,117)118;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h31-36,38-41,47-52,54-59,73-78,111-112,131-132H,11-30,37,42-46,53,60-72H2,1-10H3,(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150)(H2,113,115,117,119,121)(H2,114,116,118,120,122);11-20,25-36,45-50,99-100H,9-10,21-24,37-44,81-82H2,1-8H3,(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H,113,114,115)(H,116,117,118)(H2,83,85,87,89,91)(H2,84,86,88,90,92);4H,2-3,5-14H2,1H3/b125-123+,126-124+;95-93+,96-94+;/t169-,170?;136-,137?;/m00./s1
InChIKeyMNVKEZCTZGCSCC-QZXJQTJCSA-N
MW4862.14 g/mol
LogP39.78
Rot. Bonds138

About 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate

5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate (PubChem CID 159620640) has the molecular formula C205H276N36O63S12Si8 and a molecular weight of 4862.14 g/mol. Its IUPAC name is 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate.

Molecular Properties

Compound Name5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate
PubChem CID159620640
Molecular FormulaC205H276N36O63S12Si8
Molecular Weight4862.14 g/mol
Exact Mass4857.43
IUPAC Name5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCC.CCCCCCCCCCCCOC(=O)CCNCCC[Si@](OC)(O[Si](CCCNc1nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)nc(N(CC)c2ccccc2)n1)(OC)OC)O[Si](CCCNc1nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)nc(N(CC)c2ccccc2)n1)(OC)O[Si](CCCNCCC(=O)CCCCCCCCCCCC)(OC)OC.CCN(c1ccccc1)c1nc(NCCC[Si](OC)(OC)O[Si@](CCCN)(OC)O[Si](CCCNc2nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc6ccccc6c5S(=O)(=O)O)c(O)c34)nc(N(CC)c3ccccc3)n2)(OC)O[Si](CCCN)(OC)OC)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)n1
InChIInChI=1S/C110H152N18O32S6Si4.C80H96N18O29S6Si4.C15H28O2/c1-11-15-17-19-21-23-25-27-29-37-53-85(129)60-66-111-62-43-69-167(151-5,152-6)158-170(156-10,72-46-65-114-106-118-108(122-110(120-106)128(14-4)84-51-35-32-36-52-84)116-93-78-87(162(136,137)138)74-82-76-95(164(142,143)144)100(102(132)98(82)93)126-124-91-59-57-80-48-39-41-55-89(80)104(91)166(148,149)150)160-169(155-9,71-44-63-112-67-61-96(130)157-68-42-30-28-26-24-22-20-18-16-12-2)159-168(153-7,154-8)70-45-64-113-105-117-107(121-109(119-105)127(13-3)83-49-33-31-34-50-83)115-92-77-86(161(133,134)135)73-81-75-94(163(139,140)141)99(101(131)97(81)92)125-123-90-58-56-79-47-38-40-54-88(79)103(90)165(145,146)147;1-9-97(55-27-13-11-14-28-55)79-89-75(87-77(91-79)85-63-49-57(128(101,102)103)45-53-47-65(130(107,108)109)69(71(99)67(53)63)95-93-61-35-33-51-25-17-19-31-59(51)73(61)132(113,114)115)83-39-23-43-135(121-5,122-6)126-136(123-7,42-22-38-82)127-137(124-8,125-134(119-3,120-4)41-21-37-81)44-24-40-84-76-88-78(92-80(90-76)98(10-2)56-29-15-12-16-30-56)86-64-50-58(129(104,105)106)46-54-48-66(131(110,111)112)70(72(100)68(54)64)96-94-62-36-34-52-26-18-20-32-60(52)74(62)133(116,117)118;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h31-36,38-41,47-52,54-59,73-78,111-112,131-132H,11-30,37,42-46,53,60-72H2,1-10H3,(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150)(H2,113,115,117,119,121)(H2,114,116,118,120,122);11-20,25-36,45-50,99-100H,9-10,21-24,37-44,81-82H2,1-8H3,(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H,113,114,115)(H,116,117,118)(H2,83,85,87,89,91)(H2,84,86,88,90,92);4H,2-3,5-14H2,1H3/b125-123+,126-124+;95-93+,96-94+;/t169-,170?;136-,137?;/m00./s1
InChIKeyMNVKEZCTZGCSCC-QZXJQTJCSA-N
XLogP39.78
TPSA1408.03 Ų
H-Bond Donors28
H-Bond Acceptors87
Rotatable Bonds138
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004862.14
LogP ≤ 539.78
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1087

Analyze 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate with MolForge

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Related Compounds

5-[[4-(ethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135787835
3-[2-(1,5-disulfonaphthalen-2-yl)hydrazinyl]-5-[[4-(N-ethylanilino)-6-(3-triethoxysilylpropylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 90733125
CID 170845523
CID 170845523
CID 137239117
CID 137239117
5-hydroxy-4-[[4-(2-prop-2-enoyloxyethylamino)-6-[(4-sulfophenyl)methyl]-1,3,5-triazin-2-yl]amino]-6-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 159941398
5-[[4,6-bis(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[[5-(2,3-dibromopropanoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 165363926
5-[[4-(4-chloro-N-ethylanilino)-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 177493355
5-[[4-[2-(2-tert-butyl-2,4,4-trimethylpentanoyl)oxyethoxy]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid
CID 142001621
trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 171391243
5-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate
CID 135787838
5-[[4-chloro-6-(N-ethyl-3-methylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-fluoro-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 136504341
5-[[4-chloro-6-[[3-oxo-3-[3-(2-sulfooxyethylsulfonyl)anilino]propyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 136759356

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate?
The IUPAC name of 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate (CID 159620640) is 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate.
What is the SMILES notation for 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate?
The canonical SMILES for 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCC.CCCCCCCCCCCCOC(=O)CCNCCC[Si@](OC)(O[Si](CCCNc1nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)nc(N(CC)c2ccccc2)n1)(OC)OC)O[Si](CCCNc1nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)nc(N(CC)c2ccccc2)n1)(OC)O[Si](CCCNCCC(=O)CCCCCCCCCCCC)(OC)OC.CCN(c1ccccc1)c1nc(NCCC[Si](OC)(OC)O[Si@](CCCN)(OC)O[Si](CCCNc2nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc6ccccc6c5S(=O)(=O)O)c(O)c34)nc(N(CC)c3ccccc3)n2)(OC)O[Si](CCCN)(OC)OC)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)n1.
What is the InChIKey of 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate?
The InChIKey is MNVKEZCTZGCSCC-QZXJQTJCSA-N. The full InChI is InChI=1S/C110H152N18O32S6Si4.C80H96N18O29S6Si4.C15H28O2/c1-11-15-17-19-21-23-25-27-29-37-53-85(129)60-66-111-62-43-69-167(151-5,152-6)158-170(156-10,72-46-65-114-106-118-108(122-110(120-106)128(14-4)84-51-35-32-36-52-84)116-93-78-87(162(136,137)138)74-82-76-95(164(142,143)144)100(102(132)98(82)93)126-124-91-59-57-80-48-39-41-55-89(80)104(91)166(148,149)150)160-169(155-9,71-44-63-112-67-61-96(130)157-68-42-30-28-26-24-22-20-18-16-12-2)159-168(153-7,154-8)70-45-64-113-105-117-107(121-109(119-105)127(13-3)83-49-33-31-34-50-83)115-92-77-86(161(133,134)135)73-81-75-94(163(139,140)141)99(101(131)97(81)92)125-123-90-58-56-79-47-38-40-54-88(79)103(90)165(145,146)147;1-9-97(55-27-13-11-14-28-55)79-89-75(87-77(91-79)85-63-49-57(128(101,102)103)45-53-47-65(130(107,108)109)69(71(99)67(53)63)95-93-61-35-33-51-25-17-19-31-59(51)73(61)132(113,114)115)83-39-23-43-135(121-5,122-6)126-136(123-7,42-22-38-82)127-137(124-8,125-134(119-3,120-4)41-21-37-81)44-24-40-84-76-88-78(92-80(90-76)98(10-2)56-29-15-12-16-30-56)86-64-50-58(129(104,105)106)46-54-48-66(131(110,111)112)70(72(100)68(54)64)96-94-62-36-34-52-26-18-20-32-60(52)74(62)133(116,117)118;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h31-36,38-41,47-52,54-59,73-78,111-112,131-132H,11-30,37,42-46,53,60-72H2,1-10H3,(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150)(H2,113,115,117,119,121)(H2,114,116,118,120,122);11-20,25-36,45-50,99-100H,9-10,21-24,37-44,81-82H2,1-8H3,(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H,113,114,115)(H,116,117,118)(H2,83,85,87,89,91)(H2,84,86,88,90,92);4H,2-3,5-14H2,1H3/b125-123+,126-124+;95-93+,96-94+;/t169-,170?;136-,137?;/m00./s1.
What are the key properties of 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate?
5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate has a molecular weight of 4862.14 g/mol, XLogP of 39.78, 138 rotatable bonds, 28 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;5-[[4-[3-[[[[dimethoxy-[3-(3-oxopentadecylamino)propyl]silyl]oxy-[3-[[4-(N-ethylanilino)-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]-methoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid;dodecyl prop-2-enoate is sourced from PubChem (CID 159620640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).