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

C61H51N23O2S4 — CID 160529435

IUPAC2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1-c1nc(N)nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccc3[N+](=O)[O-])n2)n1.Nc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(N)c4)n3)n2)c1
InChIInChI=1S/C31H25N11O2S2.C30H26N12S2/c1-18-10-2-3-11-19(18)26-36-28(32)40-30(38-26)34-21-13-5-8-16-24(21)45-46-25-17-9-6-14-22(25)35-31-39-27(37-29(33)41-31)20-12-4-7-15-23(20)42(43)44;31-19-9-5-7-17(15-19)25-37-27(33)41-29(39-25)35-21-11-1-3-13-23(21)43-44-24-14-4-2-12-22(24)36-30-40-26(38-28(34)42-30)18-8-6-10-20(32)16-18/h2-17H,1H3,(H3,32,34,36,38,40)(H3,33,35,37,39,41);1-16H,31-32H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
InChIKeyQVIMXEXVEHWWRW-UHFFFAOYSA-N
MW1266.51 g/mol
LogP13.06
Rot. Bonds19

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

2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 160529435) has the molecular formula C61H51N23O2S4 and a molecular weight of 1266.51 g/mol. Its IUPAC name is 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID160529435
Molecular FormulaC61H51N23O2S4
Molecular Weight1266.51 g/mol
Exact Mass1265.35
IUPAC Name2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1-c1nc(N)nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccc3[N+](=O)[O-])n2)n1.Nc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(N)c4)n3)n2)c1
InChIInChI=1S/C31H25N11O2S2.C30H26N12S2/c1-18-10-2-3-11-19(18)26-36-28(32)40-30(38-26)34-21-13-5-8-16-24(21)45-46-25-17-9-6-14-22(25)35-31-39-27(37-29(33)41-31)20-12-4-7-15-23(20)42(43)44;31-19-9-5-7-17(15-19)25-37-27(33)41-29(39-25)35-21-11-1-3-13-23(21)43-44-24-14-4-2-12-22(24)36-30-40-26(38-28(34)42-30)18-8-6-10-20(32)16-18/h2-17H,1H3,(H3,32,34,36,38,40)(H3,33,35,37,39,41);1-16H,31-32H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
InChIKeyQVIMXEXVEHWWRW-UHFFFAOYSA-N
XLogP13.06
TPSA402.06 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001266.51
LogP ≤ 513.06
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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 153157083
3-[4-amino-6-[2-[[2-[[4-amino-6-(3-ethynylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]anilino]-1,3,5-triazin-2-yl]benzonitrile
CID 158517050
4-methylsulfanyl-6-(2-nitrophenyl)-1,3,5-triazin-2-amine
CID 78909338
6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730671
N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190534
4-methyl-3-(2-methyl-6-nitrophenyl)aniline
CID 100971309
2-(3-aminophenyl)-6-nitrophenol;hydrobromide
CID 69006679
N-ethyl-6-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191593
3-[2-(2-methylphenyl)phenyl]aniline
CID 174293524
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 160529435) is 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1-c1nc(N)nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccccc3[N+](=O)[O-])n2)n1.Nc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(N)c4)n3)n2)c1.
What is the InChIKey of 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QVIMXEXVEHWWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N11O2S2.C30H26N12S2/c1-18-10-2-3-11-19(18)26-36-28(32)40-30(38-26)34-21-13-5-8-16-24(21)45-46-25-17-9-6-14-22(25)35-31-39-27(37-29(33)41-31)20-12-4-7-15-23(20)42(43)44;31-19-9-5-7-17(15-19)25-37-27(33)41-29(39-25)35-21-11-1-3-13-23(21)43-44-24-14-4-2-12-22(24)36-30-40-26(38-28(34)42-30)18-8-6-10-20(32)16-18/h2-17H,1H3,(H3,32,34,36,38,40)(H3,33,35,37,39,41);1-16H,31-32H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42).
What are the key properties of 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1266.51 g/mol, XLogP of 13.06, 19 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[2-[[4-amino-6-(3-aminophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-aminophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(2-nitrophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 160529435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).