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

C61H47ClI2N20S4 — CID 158376791

IUPAC2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(Cl)c4)n3)n2)c1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccc(I)cc3)n2)nc(-c2ccc(I)cc2)n1
InChIInChI=1S/C31H25ClN10S2.C30H22I2N10S2/c1-18-8-6-9-19(16-18)26-37-28(33)41-30(39-26)35-22-12-2-4-14-24(22)43-44-25-15-5-3-13-23(25)36-31-40-27(38-29(34)42-31)20-10-7-11-21(32)17-20;31-19-13-9-17(10-14-19)25-37-27(33)41-29(39-25)35-21-5-1-3-7-23(21)43-44-24-8-4-2-6-22(24)36-30-40-26(38-28(34)42-30)18-11-15-20(32)16-12-18/h2-17H,1H3,(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)
InChIKeyGVHLRHHHGGCPIS-UHFFFAOYSA-N
MW1477.72 g/mol
LogP15.85
Rot. Bonds18

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

2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 158376791) has the molecular formula C61H47ClI2N20S4 and a molecular weight of 1477.72 g/mol. Its IUPAC name is 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID158376791
Molecular FormulaC61H47ClI2N20S4
Molecular Weight1477.72 g/mol
Exact Mass1476.10
IUPAC Name2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(Cl)c4)n3)n2)c1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccc(I)cc3)n2)nc(-c2ccc(I)cc2)n1
InChIInChI=1S/C31H25ClN10S2.C30H22I2N10S2/c1-18-8-6-9-19(16-18)26-37-28(33)41-30(39-26)35-22-12-2-4-14-24(22)43-44-25-15-5-3-13-23(25)36-31-40-27(38-29(34)42-31)20-10-7-11-21(32)17-20;31-19-13-9-17(10-14-19)25-37-27(33)41-29(39-25)35-21-5-1-3-7-23(21)43-44-24-8-4-2-6-22(24)36-30-40-26(38-28(34)42-30)18-11-15-20(32)16-12-18/h2-17H,1H3,(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)
InChIKeyGVHLRHHHGGCPIS-UHFFFAOYSA-N
XLogP15.85
TPSA306.88 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001477.72
LogP ≤ 515.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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

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Related Compounds

2-N-[2-[[2-[[4-amino-6-(3-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 155144527
2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 155144543
2-N-[2-[[2-[[4-amino-6-(5-iodo-2-pyridinyl)-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-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 157318223
2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 148473786
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
CID 152806680
2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-bromophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 158579817
2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-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-phenyl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine
CID 162180941
2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 157318225
2-N-[2-[[2-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 159754261

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 158376791) is 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine is Cc1cccc(-c2nc(N)nc(Nc3ccccc3SSc3ccccc3Nc3nc(N)nc(-c4cccc(Cl)c4)n3)n2)c1.Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3ccc(I)cc3)n2)nc(-c2ccc(I)cc2)n1.
What is the InChIKey of 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GVHLRHHHGGCPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN10S2.C30H22I2N10S2/c1-18-8-6-9-19(16-18)26-37-28(33)41-30(39-26)35-22-12-2-4-14-24(22)43-44-25-15-5-3-13-23(25)36-31-40-27(38-29(34)42-31)20-10-7-11-21(32)17-20;31-19-13-9-17(10-14-19)25-37-27(33)41-29(39-25)35-21-5-1-3-7-23(21)43-44-24-8-4-2-6-22(24)36-30-40-26(38-28(34)42-30)18-11-15-20(32)16-12-18/h2-17H,1H3,(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).
What are the key properties of 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1477.72 g/mol, XLogP of 15.85, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[2-[[4-amino-6-(4-iodophenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(4-iodophenyl)-1,3,5-triazine-2,4-diamine;2-N-[2-[[2-[[4-amino-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]disulfanyl]phenyl]-6-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158376791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).