4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol

C44H32N6O14S3 — CID 22131589

IUPAC4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol
SMILESCOc1nc(Oc2ccc(S(=O)(=O)c3ccccc3Oc3nc(OC)nc(Oc4ccccc4S(=O)(=O)c4ccc(O)cc4)n3)cc2)nc(Oc2ccccc2S(=O)(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C44H32N6O14S3/c1-59-39-45-41(49-42(46-39)62-33-9-3-6-12-36(33)65(53,54)30-21-15-27(51)16-22-30)61-29-19-25-32(26-20-29)67(57,58)38-14-8-5-11-35(38)64-44-48-40(60-2)47-43(50-44)63-34-10-4-7-13-37(34)66(55,56)31-23-17-28(52)18-24-31/h3-26,51-52H,1-2H3
InChIKeyKALSBUAKSCMSHK-UHFFFAOYSA-N
MW964.97 g/mol
LogP7.15
Rot. Bonds16

About 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol

4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol (PubChem CID 22131589) has the molecular formula C44H32N6O14S3 and a molecular weight of 964.97 g/mol. Its IUPAC name is 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol.

Molecular Properties

Compound Name4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol
PubChem CID22131589
Molecular FormulaC44H32N6O14S3
Molecular Weight964.97 g/mol
Exact Mass964.11
IUPAC Name4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol
SMILESCOc1nc(Oc2ccc(S(=O)(=O)c3ccccc3Oc3nc(OC)nc(Oc4ccccc4S(=O)(=O)c4ccc(O)cc4)n3)cc2)nc(Oc2ccccc2S(=O)(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C44H32N6O14S3/c1-59-39-45-41(49-42(46-39)62-33-9-3-6-12-36(33)65(53,54)30-21-15-27(51)16-22-30)61-29-19-25-32(26-20-29)67(57,58)38-14-8-5-11-35(38)64-44-48-40(60-2)47-43(50-44)63-34-10-4-7-13-37(34)66(55,56)31-23-17-28(52)18-24-31/h3-26,51-52H,1-2H3
InChIKeyKALSBUAKSCMSHK-UHFFFAOYSA-N
XLogP7.15
TPSA275.60 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.97
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol with MolForge

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Related Compounds

2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol
CID 67162495
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 67163625
1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
CID 20521157
4-(2-pentoxyphenyl)sulfonylphenol
CID 101144520
4-(2-methoxyphenyl)sulfonylaniline
CID 10801498
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
4-[2-(2-ethoxy-1-hydroxyethoxy)phenyl]sulfonylphenol
CID 91804797
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol?
The IUPAC name of 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol (CID 22131589) is 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol.
What is the SMILES notation for 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol?
The canonical SMILES for 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol is COc1nc(Oc2ccc(S(=O)(=O)c3ccccc3Oc3nc(OC)nc(Oc4ccccc4S(=O)(=O)c4ccc(O)cc4)n3)cc2)nc(Oc2ccccc2S(=O)(=O)c2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol?
The InChIKey is KALSBUAKSCMSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N6O14S3/c1-59-39-45-41(49-42(46-39)62-33-9-3-6-12-36(33)65(53,54)30-21-15-27(51)16-22-30)61-29-19-25-32(26-20-29)67(57,58)38-14-8-5-11-35(38)64-44-48-40(60-2)47-43(50-44)63-34-10-4-7-13-37(34)66(55,56)31-23-17-28(52)18-24-31/h3-26,51-52H,1-2H3.
What are the key properties of 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol?
4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol has a molecular weight of 964.97 g/mol, XLogP of 7.15, 16 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol is sourced from PubChem (CID 22131589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).