4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine

C85H65Cl9N40O41S12 — CID 158921513

IUPAC4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Cl)n1.N.NC(=O)CNc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4ccc(/N=N/c5cc(Nc6nc(Cl)nc(CC(N)=O)n6)ccc5S(=O)(=O)O)c(O)c4c3N)c2)n1.Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Cl)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2ccc(/N=N/c3cc(Nc4nc(Cl)nc(Cl)n4)ccc3S(=O)(=O)O)c(O)c12.Nc1ccc(S(=O)(=O)O)c(/N=N/c2ccc3cc(S(=O)(=O)O)c(/N=N/c4cc(N)ccc4S(=O)(=O)O)c(N)c3c2O)c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C32H26Cl2N16O12S3.C28H17Cl4N13O10S3.C22H19N7O10S3.C3Cl3N3.H3N.3O3S/c33-28-41-23(10-21(35)51)42-31(44-28)39-13-2-5-18(63(54,55)56)16(8-13)48-47-15-4-1-12-7-20(65(60,61)62)26(25(37)24(12)27(15)53)50-49-17-9-14(3-6-19(17)64(57,58)59)40-32-45-29(34)43-30(46-32)38-11-22(36)52;29-23-36-24(30)39-27(38-23)34-11-2-5-16(56(47,48)49)14(8-11)43-42-13-4-1-10-7-18(58(53,54)55)21(20(33)19(10)22(13)46)45-44-15-9-12(3-6-17(15)57(50,51)52)35-28-40-25(31)37-26(32)41-28;23-11-2-5-16(40(31,32)33)14(8-11)27-26-13-4-1-10-7-18(42(37,38)39)21(20(25)19(10)22(13)30)29-28-15-9-12(24)3-6-17(15)41(34,35)36;4-1-7-2(5)9-3(6)8-1;;3*1-4(2)3/h1-9,53H,10-11,37H2,(H2,35,51)(H2,36,52)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,39,41,42,44)(H2,38,40,43,45,46);1-9,46H,33H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,34,36,38,39)(H,35,37,40,41);1-9,30H,23-25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;1H3;;;/b48-47+,50-49+;43-42+,45-44+;27-26+,29-28+;;;;;
InChIKeyQWYBSFPYOMXPDK-BCGMDHLGSA-N
MW3006.57 g/mol
LogP13.80
Rot. Bonds34

About 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine

4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine (PubChem CID 158921513) has the molecular formula C85H65Cl9N40O41S12 and a molecular weight of 3006.57 g/mol. Its IUPAC name is 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine
PubChem CID158921513
Molecular FormulaC85H65Cl9N40O41S12
Molecular Weight3006.57 g/mol
Exact Mass2999.81
IUPAC Name4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Cl)n1.N.NC(=O)CNc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4ccc(/N=N/c5cc(Nc6nc(Cl)nc(CC(N)=O)n6)ccc5S(=O)(=O)O)c(O)c4c3N)c2)n1.Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Cl)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2ccc(/N=N/c3cc(Nc4nc(Cl)nc(Cl)n4)ccc3S(=O)(=O)O)c(O)c12.Nc1ccc(S(=O)(=O)O)c(/N=N/c2ccc3cc(S(=O)(=O)O)c(/N=N/c4cc(N)ccc4S(=O)(=O)O)c(N)c3c2O)c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C32H26Cl2N16O12S3.C28H17Cl4N13O10S3.C22H19N7O10S3.C3Cl3N3.H3N.3O3S/c33-28-41-23(10-21(35)51)42-31(44-28)39-13-2-5-18(63(54,55)56)16(8-13)48-47-15-4-1-12-7-20(65(60,61)62)26(25(37)24(12)27(15)53)50-49-17-9-14(3-6-19(17)64(57,58)59)40-32-45-29(34)43-30(46-32)38-11-22(36)52;29-23-36-24(30)39-27(38-23)34-11-2-5-16(56(47,48)49)14(8-11)43-42-13-4-1-10-7-18(58(53,54)55)21(20(33)19(10)22(13)46)45-44-15-9-12(3-6-17(15)57(50,51)52)35-28-40-25(31)37-26(32)41-28;23-11-2-5-16(40(31,32)33)14(8-11)27-26-13-4-1-10-7-18(42(37,38)39)21(20(25)19(10)22(13)30)29-28-15-9-12(24)3-6-17(15)41(34,35)36;4-1-7-2(5)9-3(6)8-1;;3*1-4(2)3/h1-9,53H,10-11,37H2,(H2,35,51)(H2,36,52)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,39,41,42,44)(H2,38,40,43,45,46);1-9,46H,33H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,34,36,38,39)(H,35,37,40,41);1-9,30H,23-25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;1H3;;;/b48-47+,50-49+;43-42+,45-44+;27-26+,29-28+;;;;;
InChIKeyQWYBSFPYOMXPDK-BCGMDHLGSA-N
XLogP13.80
TPSA1356.75 Ų
H-Bond Donors25
H-Bond Acceptors70
Rotatable Bonds34
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003006.57
LogP ≤ 513.80
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine with MolForge

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Related Compounds

4-amino-3,6-bis[[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135730189
4-[[4-[3-[[8-amino-7-[(2,5-disulfophenyl)diazenyl]-1-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-4-sulfoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]benzoic acid
CID 135570875
5-amino-3-[[5-[[4,6-bis(2-methyl-4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-chloro-6-(2-methyl-4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 177460697
4-amino-3-[[5-[[4-chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-6-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid
CID 135829738
tetrasodium;4-amino-3,6-bis[[5-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
CID 135853733
4-amino-3-[[3-[[4-chloro-6-[2-hydroxy-3-sulfo-5-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-hydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;tris(sulfur trioxide)
CID 160509361
4-amino-6-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-3-[[5-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-methylpropane
CID 136657196
5-amino-3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(trioxidanylsulfanyl)phenyl]diazenyl]-4-hydroxy-6-[(5-sulfinooxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135988249
2-[[8-amino-7-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]benzene-1,4-disulfonic acid;7-[[2,4-bis[[4-[3-[[1-amino-7-[(2,5-disulfophenyl)diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-2-yl]diazenyl]-4-methylanilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-6-methylnaphthalene-1,3-disulfonic acid;7-[(2,4-diaminophenyl)diazenyl]-6-methylnaphthalene-1,3-disulfonic acid
CID 90936367
hexasodium;4-amino-3,6-bis[[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
CID 135461160
5-amino-3-[[5-[[2-chloro-6-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfoanilino]-1-methyl-2H-1,3,5-triazin-4-yl]amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 137446989
4-amino-3-[[4-[[4-chloro-6-[methyl-[2-(methylamino)acetyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 165366329

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine (CID 158921513) is 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine is Clc1nc(Cl)nc(Cl)n1.N.NC(=O)CNc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4ccc(/N=N/c5cc(Nc6nc(Cl)nc(CC(N)=O)n6)ccc5S(=O)(=O)O)c(O)c4c3N)c2)n1.Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Cl)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2ccc(/N=N/c3cc(Nc4nc(Cl)nc(Cl)n4)ccc3S(=O)(=O)O)c(O)c12.Nc1ccc(S(=O)(=O)O)c(/N=N/c2ccc3cc(S(=O)(=O)O)c(/N=N/c4cc(N)ccc4S(=O)(=O)O)c(N)c3c2O)c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine?
The InChIKey is QWYBSFPYOMXPDK-BCGMDHLGSA-N. The full InChI is InChI=1S/C32H26Cl2N16O12S3.C28H17Cl4N13O10S3.C22H19N7O10S3.C3Cl3N3.H3N.3O3S/c33-28-41-23(10-21(35)51)42-31(44-28)39-13-2-5-18(63(54,55)56)16(8-13)48-47-15-4-1-12-7-20(65(60,61)62)26(25(37)24(12)27(15)53)50-49-17-9-14(3-6-19(17)64(57,58)59)40-32-45-29(34)43-30(46-32)38-11-22(36)52;29-23-36-24(30)39-27(38-23)34-11-2-5-16(56(47,48)49)14(8-11)43-42-13-4-1-10-7-18(58(53,54)55)21(20(33)19(10)22(13)46)45-44-15-9-12(3-6-17(15)57(50,51)52)35-28-40-25(31)37-26(32)41-28;23-11-2-5-16(40(31,32)33)14(8-11)27-26-13-4-1-10-7-18(42(37,38)39)21(20(25)19(10)22(13)30)29-28-15-9-12(24)3-6-17(15)41(34,35)36;4-1-7-2(5)9-3(6)8-1;;3*1-4(2)3/h1-9,53H,10-11,37H2,(H2,35,51)(H2,36,52)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,39,41,42,44)(H2,38,40,43,45,46);1-9,46H,33H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,34,36,38,39)(H,35,37,40,41);1-9,30H,23-25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;1H3;;;/b48-47+,50-49+;43-42+,45-44+;27-26+,29-28+;;;;;.
What are the key properties of 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine?
4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine has a molecular weight of 3006.57 g/mol, XLogP of 13.80, 34 rotatable bonds, 25 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[5-[[4-[(2-amino-2-oxoethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[[5-[[4-(2-amino-2-oxoethyl)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;4-amino-3,6-bis[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid;azane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 158921513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).