4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine

C18H10Cl4N8O — CID 102176522

IUPAC4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc(Oc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc2)n1
InChIInChI=1S/C18H10Cl4N8O/c19-13-25-14(20)28-17(27-13)23-9-1-5-11(6-2-9)31-12-7-3-10(4-8-12)24-18-29-15(21)26-16(22)30-18/h1-8H,(H,23,25,27,28)(H,24,26,29,30)
InChIKeyRZTNRIKBPISYIR-UHFFFAOYSA-N
MW496.15 g/mol
LogP5.95
Rot. Bonds6

About 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine (PubChem CID 102176522) has the molecular formula C18H10Cl4N8O and a molecular weight of 496.15 g/mol. Its IUPAC name is 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
PubChem CID102176522
Molecular FormulaC18H10Cl4N8O
Molecular Weight496.15 g/mol
Exact Mass493.97
IUPAC Name4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc(Oc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc2)n1
InChIInChI=1S/C18H10Cl4N8O/c19-13-25-14(20)28-17(27-13)23-9-1-5-11(6-2-9)31-12-7-3-10(4-8-12)24-18-29-15(21)26-16(22)30-18/h1-8H,(H,23,25,27,28)(H,24,26,29,30)
InChIKeyRZTNRIKBPISYIR-UHFFFAOYSA-N
XLogP5.95
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.15
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl] hydrogen sulfite
CID 56978378
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213
N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine
CID 70685234
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine
CID 135338335
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
4,6-dichloro-N-[4-[(E)-2-[4-(4-ethoxy-N-(4-ethoxyphenyl)anilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-amine
CID 102288247

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine (CID 102176522) is 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(Nc2ccc(Oc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc2)n1.
What is the InChIKey of 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine?
The InChIKey is RZTNRIKBPISYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl4N8O/c19-13-25-14(20)28-17(27-13)23-9-1-5-11(6-2-9)31-12-7-3-10(4-8-12)24-18-29-15(21)26-16(22)30-18/h1-8H,(H,23,25,27,28)(H,24,26,29,30).
What are the key properties of 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine has a molecular weight of 496.15 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 102176522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).