2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

C160H132Cl2N52O10S10 — CID 158952300

IUPAC2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cc(C)c(OC)c(C)c4)n3)n2)cc(C)c1C.Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(C)cc4)n3)n2)cc1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccc4c(c3)OCO4)n2)nc(-c2ccc3c(c2)OCO3)n1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3cccc([N+](=O)[O-])c3)n2)nc(-c2cccc([N+](=O)[O-])c2)n1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccc3Cl)n2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C36H36N10O2S2.C32H24N10O4S2.C32H28N10S2.C30H22Cl2N10S2.C30H22N12O4S2/c1-19-15-24(18-27(47-5)22(19)4)32-42-34(38)46-36(44-32)40-26-12-8-10-14-29(26)50-49-28-13-9-7-11-25(28)39-35-43-31(41-33(37)45-35)23-16-20(2)30(48-6)21(3)17-23;33-29-37-27(17-9-11-21-23(13-17)45-15-43-21)39-31(41-29)35-19-5-1-3-7-25(19)47-48-26-8-4-2-6-20(26)36-32-40-28(38-30(34)42-32)18-10-12-22-24(14-18)46-16-44-22;1-19-11-15-21(16-12-19)27-37-29(33)41-31(39-27)35-23-7-3-5-9-25(23)43-44-26-10-6-4-8-24(26)36-32-40-28(38-30(34)42-32)22-17-13-20(2)14-18-22;31-19-11-3-1-9-17(19)25-37-27(33)41-29(39-25)35-21-13-5-7-15-23(21)43-44-24-16-8-6-14-22(24)36-30-40-26(38-28(34)42-30)18-10-2-4-12-20(18)32;31-27-35-25(17-7-5-9-19(15-17)41(43)44)37-29(39-27)33-21-11-1-3-13-23(21)47-48-24-14-4-2-12-22(24)34-30-38-26(36-28(32)40-30)18-8-6-10-20(16-18)42(45)46/h7-18H,1-6H3,(H3,37,39,41,43,45)(H3,38,40,42,44,46);1-14H,15-16H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42);3-18H,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-16H,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-16H,(H3,31,33,35,37,39)(H3,32,34,36,38,40)
InChIKeyJLOUXOSDNDBDFX-UHFFFAOYSA-N
MW3334.75 g/mol
LogP36.66
Rot. Bonds49

About 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 158952300) has the molecular formula C160H132Cl2N52O10S10 and a molecular weight of 3334.75 g/mol. Its IUPAC name is 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID158952300
Molecular FormulaC160H132Cl2N52O10S10
Molecular Weight3334.75 g/mol
Exact Mass3330.80
IUPAC Name2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cc(C)c(OC)c(C)c4)n3)n2)cc(C)c1C.Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(C)cc4)n3)n2)cc1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccc4c(c3)OCO4)n2)nc(-c2ccc3c(c2)OCO3)n1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3cccc([N+](=O)[O-])c3)n2)nc(-c2cccc([N+](=O)[O-])c2)n1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccc3Cl)n2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C36H36N10O2S2.C32H24N10O4S2.C32H28N10S2.C30H22Cl2N10S2.C30H22N12O4S2/c1-19-15-24(18-27(47-5)22(19)4)32-42-34(38)46-36(44-32)40-26-12-8-10-14-29(26)50-49-28-13-9-7-11-25(28)39-35-43-31(41-33(37)45-35)23-16-20(2)30(48-6)21(3)17-23;33-29-37-27(17-9-11-21-23(13-17)45-15-43-21)39-31(41-29)35-19-5-1-3-7-25(19)47-48-26-8-4-2-6-20(26)36-32-40-28(38-30(34)42-32)18-10-12-22-24(14-18)46-16-44-22;1-19-11-15-21(16-12-19)27-37-29(33)41-31(39-27)35-23-7-3-5-9-25(23)43-44-26-10-6-4-8-24(26)36-32-40-28(38-30(34)42-32)22-17-13-20(2)14-18-22;31-19-11-3-1-9-17(19)25-37-27(33)41-29(39-25)35-21-13-5-7-15-23(21)43-44-24-16-8-6-14-22(24)36-30-40-26(38-28(34)42-30)18-10-2-4-12-20(18)32;31-27-35-25(17-7-5-9-19(15-17)41(43)44)37-29(39-27)33-21-11-1-3-13-23(21)47-48-24-14-4-2-12-22(24)34-30-38-26(36-28(32)40-30)18-8-6-10-20(16-18)42(45)46/h7-18H,1-6H3,(H3,37,39,41,43,45)(H3,38,40,42,44,46);1-14H,15-16H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42);3-18H,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-16H,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-16H,(H3,31,33,35,37,39)(H3,32,34,36,38,40)
InChIKeyJLOUXOSDNDBDFX-UHFFFAOYSA-N
XLogP36.66
TPSA908.86 Ų
H-Bond Donors20
H-Bond Acceptors70
Rotatable Bonds49
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003334.75
LogP ≤ 536.66
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine (CID 158952300) is 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine is COc1cc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cc(C)c(OC)c(C)c4)n3)n2)cc(C)c1C.Cc1ccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4ccc(C)cc4)n3)n2)cc1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccc4c(c3)OCO4)n2)nc(-c2ccc3c(c2)OCO3)n1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3cccc([N+](=O)[O-])c3)n2)nc(-c2cccc([N+](=O)[O-])c2)n1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccc3Cl)n2)nc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JLOUXOSDNDBDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N10O2S2.C32H24N10O4S2.C32H28N10S2.C30H22Cl2N10S2.C30H22N12O4S2/c1-19-15-24(18-27(47-5)22(19)4)32-42-34(38)46-36(44-32)40-26-12-8-10-14-29(26)50-49-28-13-9-7-11-25(28)39-35-43-31(41-33(37)45-35)23-16-20(2)30(48-6)21(3)17-23;33-29-37-27(17-9-11-21-23(13-17)45-15-43-21)39-31(41-29)35-19-5-1-3-7-25(19)47-48-26-8-4-2-6-20(26)36-32-40-28(38-30(34)42-32)18-10-12-22-24(14-18)46-16-44-22;1-19-11-15-21(16-12-19)27-37-29(33)41-31(39-27)35-23-7-3-5-9-25(23)43-44-26-10-6-4-8-24(26)36-32-40-28(38-30(34)42-32)22-17-13-20(2)14-18-22;31-19-11-3-1-9-17(19)25-37-27(33)41-29(39-25)35-21-13-5-7-15-23(21)43-44-24-16-8-6-14-22(24)36-30-40-26(38-28(34)42-30)18-10-2-4-12-20(18)32;31-27-35-25(17-7-5-9-19(15-17)41(43)44)37-29(39-27)33-21-11-1-3-13-23(21)47-48-24-14-4-2-12-22(24)34-30-38-26(36-28(32)40-30)18-8-6-10-20(16-18)42(45)46/h7-18H,1-6H3,(H3,37,39,41,43,45)(H3,38,40,42,44,46);1-14H,15-16H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42);3-18H,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-16H,(H3,33,35,37,39,41)(H3,34,36,38,40,42);1-16H,(H3,31,33,35,37,39)(H3,32,34,36,38,40).
What are the key properties of 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 3334.75 g/mol, XLogP of 36.66, 49 rotatable bonds, 20 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[2-[[4-amino-6-(1,3-benzodioxol-5-yl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(1,3-benzodioxol-5-yl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methoxy-4,5-dimethylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methoxy-3,5-dimethylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158952300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).