4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol

C38H41N15O2 — CID 118934221

IUPAC4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2nc(/N=N/CCNCC/N=N/c3nc(NCCc4ccc(O)cc4)nc(Nc4ccccc4)n3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C38H41N15O2/c54-31-15-11-27(12-16-31)19-21-40-33-46-35(44-29-7-3-1-4-8-29)50-37(48-33)52-42-25-23-39-24-26-43-53-38-49-34(41-22-20-28-13-17-32(55)18-14-28)47-36(51-38)45-30-9-5-2-6-10-30/h1-18,39,54-55H,19-26H2,(H2,40,44,46,48,50)(H2,41,45,47,49,51)/b52-42+,53-43+
InChIKeyRNVLTDZYEXLEIS-ULUJXTRKSA-N
MW739.85 g/mol
LogP6.72
Rot. Bonds20

About 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol

4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol (PubChem CID 118934221) has the molecular formula C38H41N15O2 and a molecular weight of 739.85 g/mol. Its IUPAC name is 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol
PubChem CID118934221
Molecular FormulaC38H41N15O2
Molecular Weight739.85 g/mol
Exact Mass739.36
IUPAC Name4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2nc(/N=N/CCNCC/N=N/c3nc(NCCc4ccc(O)cc4)nc(Nc4ccccc4)n3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C38H41N15O2/c54-31-15-11-27(12-16-31)19-21-40-33-46-35(44-29-7-3-1-4-8-29)50-37(48-33)52-42-25-23-39-24-26-43-53-38-49-34(41-22-20-28-13-17-32(55)18-14-28)47-36(51-38)45-30-9-5-2-6-10-30/h1-18,39,54-55H,19-26H2,(H2,40,44,46,48,50)(H2,41,45,47,49,51)/b52-42+,53-43+
InChIKeyRNVLTDZYEXLEIS-ULUJXTRKSA-N
XLogP6.72
TPSA227.39 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500739.85
LogP ≤ 56.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol (CID 118934221) is 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol is Oc1ccc(CCNc2nc(/N=N/CCNCC/N=N/c3nc(NCCc4ccc(O)cc4)nc(Nc4ccccc4)n3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The InChIKey is RNVLTDZYEXLEIS-ULUJXTRKSA-N. The full InChI is InChI=1S/C38H41N15O2/c54-31-15-11-27(12-16-31)19-21-40-33-46-35(44-29-7-3-1-4-8-29)50-37(48-33)52-42-25-23-39-24-26-43-53-38-49-34(41-22-20-28-13-17-32(55)18-14-28)47-36(51-38)45-30-9-5-2-6-10-30/h1-18,39,54-55H,19-26H2,(H2,40,44,46,48,50)(H2,41,45,47,49,51)/b52-42+,53-43+.
What are the key properties of 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol?
4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol has a molecular weight of 739.85 g/mol, XLogP of 6.72, 20 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 118934221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).