1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione

C81H139N15O15 — CID 101054897

IUPAC1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCCCn1c(=O)n(CCCCCC)c(=O)n(CCCCCCn2c(=O)n(CCCCCC)c(=O)n(CCCCCCn3c(=O)n(CCCCCC)c(=O)n(CCCCCCn4c(=O)n(CCCCCC)c(=O)n(CCCCCCn5c(=O)n(CCCCCC)c(=O)n(CCCCCC)c5=O)c4=O)c3=O)c2=O)c1=O
InChIInChI=1S/C81H139N15O15/c1-8-15-22-37-52-82-67(97)83(53-38-23-16-9-2)70(100)89(69(82)99)59-44-29-31-46-61-91-73(103)86(56-41-26-19-12-5)75(105)93(79(91)109)63-48-33-35-50-65-95-77(107)88(58-43-28-21-14-7)78(108)96(81(95)111)66-51-36-34-49-64-94-76(106)87(57-42-27-20-13-6)74(104)92(80(94)110)62-47-32-30-45-60-90-71(101)84(54-39-24-17-10-3)68(98)85(72(90)102)55-40-25-18-11-4/h8-66H2,1-7H3
InChIKeyGACYRQZZZQZVRO-UHFFFAOYSA-N
MW1563.09 g/mol
LogP9.22
Rot. Bonds63

About 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione

1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 101054897) has the molecular formula C81H139N15O15 and a molecular weight of 1563.09 g/mol. Its IUPAC name is 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione
PubChem CID101054897
Molecular FormulaC81H139N15O15
Molecular Weight1563.09 g/mol
Exact Mass1562.06
IUPAC Name1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCCCn1c(=O)n(CCCCCC)c(=O)n(CCCCCCn2c(=O)n(CCCCCC)c(=O)n(CCCCCCn3c(=O)n(CCCCCC)c(=O)n(CCCCCCn4c(=O)n(CCCCCC)c(=O)n(CCCCCCn5c(=O)n(CCCCCC)c(=O)n(CCCCCC)c5=O)c4=O)c3=O)c2=O)c1=O
InChIInChI=1S/C81H139N15O15/c1-8-15-22-37-52-82-67(97)83(53-38-23-16-9-2)70(100)89(69(82)99)59-44-29-31-46-61-91-73(103)86(56-41-26-19-12-5)75(105)93(79(91)109)63-48-33-35-50-65-95-77(107)88(58-43-28-21-14-7)78(108)96(81(95)111)66-51-36-34-49-64-94-76(106)87(57-42-27-20-13-6)74(104)92(80(94)110)62-47-32-30-45-60-90-71(101)84(54-39-24-17-10-3)68(98)85(72(90)102)55-40-25-18-11-4/h8-66H2,1-7H3
InChIKeyGACYRQZZZQZVRO-UHFFFAOYSA-N
XLogP9.22
TPSA330.00 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds63
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.09
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione;1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-hexyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-octyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-pentyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 158649400
1-[6-[3,5-Bis[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione
CID 101054896
1-[6-[3-[6-[3,5-Bis(6-isocyanatohexyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-(6-isocyanatohexyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-bis(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione
CID 101886335

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione (CID 101054897) is 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione is CCCCCCn1c(=O)n(CCCCCC)c(=O)n(CCCCCCn2c(=O)n(CCCCCC)c(=O)n(CCCCCCn3c(=O)n(CCCCCC)c(=O)n(CCCCCCn4c(=O)n(CCCCCC)c(=O)n(CCCCCCn5c(=O)n(CCCCCC)c(=O)n(CCCCCC)c5=O)c4=O)c3=O)c2=O)c1=O.
What is the InChIKey of 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GACYRQZZZQZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H139N15O15/c1-8-15-22-37-52-82-67(97)83(53-38-23-16-9-2)70(100)89(69(82)99)59-44-29-31-46-61-91-73(103)86(56-41-26-19-12-5)75(105)93(79(91)109)63-48-33-35-50-65-95-77(107)88(58-43-28-21-14-7)78(108)96(81(95)111)66-51-36-34-49-64-94-76(106)87(57-42-27-20-13-6)74(104)92(80(94)110)62-47-32-30-45-60-90-71(101)84(54-39-24-17-10-3)68(98)85(72(90)102)55-40-25-18-11-4/h8-66H2,1-7H3.
What are the key properties of 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione?
1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1563.09 g/mol, XLogP of 9.22, 63 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-[6-[3-[6-[3-[6-(3,5-dihexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-5-hexyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dihexyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 101054897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).