2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol

C127H157N9O9 — CID 165067142

IUPAC2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol
SMILESCCCCC(CC)COc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3ccc4cc5ccccc5cc4c3)n2)c(O)c1.CCCCCCCCCCCCOc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3cc4ccccc4c4ccccc34)n2)c(O)c1.CCCCCCCCCCCCOc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(O)c1
InChIInChI=1S/C45H55N3O3.C43H55N3O3.C39H47N3O3/c1-4-7-9-10-11-12-13-14-15-16-29-50-36-25-28-39(40(49)30-36)44-46-43(47-45(48-44)51-31-32(6-3)18-8-5-2)38-27-24-35-22-21-33-19-17-20-34-23-26-37(38)42(35)41(33)34;1-4-7-9-10-11-12-13-14-15-20-28-48-34-26-27-38(40(47)30-34)41-44-42(46-43(45-41)49-31-32(6-3)21-8-5-2)39-29-33-22-16-17-23-35(33)36-24-18-19-25-37(36)39;1-5-9-13-27(7-3)25-44-34-19-20-35(36(43)24-34)38-40-37(41-39(42-38)45-26-28(8-4)14-10-6-2)32-18-17-31-21-29-15-11-12-16-30(29)22-33(31)23-32/h17,19-28,30,32,49H,4-16,18,29,31H2,1-3H3;16-19,22-27,29-30,32,47H,4-15,20-21,28,31H2,1-3H3;11-12,15-24,27-28,43H,5-10,13-14,25-26H2,1-4H3
InChIKeySDRHEDMTEXNOHO-UHFFFAOYSA-N
MW1953.71 g/mol
LogP35.22
Rot. Bonds58

About 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol

2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol (PubChem CID 165067142) has the molecular formula C127H157N9O9 and a molecular weight of 1953.71 g/mol. Its IUPAC name is 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol
PubChem CID165067142
Molecular FormulaC127H157N9O9
Molecular Weight1953.71 g/mol
Exact Mass1952.21
IUPAC Name2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol
SMILESCCCCC(CC)COc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3ccc4cc5ccccc5cc4c3)n2)c(O)c1.CCCCCCCCCCCCOc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3cc4ccccc4c4ccccc34)n2)c(O)c1.CCCCCCCCCCCCOc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(O)c1
InChIInChI=1S/C45H55N3O3.C43H55N3O3.C39H47N3O3/c1-4-7-9-10-11-12-13-14-15-16-29-50-36-25-28-39(40(49)30-36)44-46-43(47-45(48-44)51-31-32(6-3)18-8-5-2)38-27-24-35-22-21-33-19-17-20-34-23-26-37(38)42(35)41(33)34;1-4-7-9-10-11-12-13-14-15-20-28-48-34-26-27-38(40(47)30-34)41-44-42(46-43(45-41)49-31-32(6-3)21-8-5-2)39-29-33-22-16-17-23-35(33)36-24-18-19-25-37(36)39;1-5-9-13-27(7-3)25-44-34-19-20-35(36(43)24-34)38-40-37(41-39(42-38)45-26-28(8-4)14-10-6-2)32-18-17-31-21-29-15-11-12-16-30(29)22-33(31)23-32/h17,19-28,30,32,49H,4-16,18,29,31H2,1-3H3;16-19,22-27,29-30,32,47H,4-15,20-21,28,31H2,1-3H3;11-12,15-24,27-28,43H,5-10,13-14,25-26H2,1-4H3
InChIKeySDRHEDMTEXNOHO-UHFFFAOYSA-N
XLogP35.22
TPSA232.08 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds58
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.71
LogP ≤ 535.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol with MolForge

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Related Compounds

2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3,5-triol;2-[4-chrysen-6-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3,5-triol;2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol;2-(4-dodecoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164970896
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-ethoxyphenol;2-[4-chrysen-6-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-ethoxyphenol;5-ethoxy-2-(4-ethoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
CID 165071742
5-dodecoxy-2-(2-phenyl-6-pyren-1-ylpyrimidin-4-yl)phenol;5-dodecoxy-2-(6-phenyl-2-pyren-1-ylpyrimidin-4-yl)phenol;5-(2-ethylhexoxy)-2-(6-phenyl-2-pyren-1-ylpyrimidin-4-yl)phenol
CID 165109043
5-ethoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol
CID 164768338
2-(4-chrysen-6-yl-6-hexylsulfanyl-1,3,5-triazin-2-yl)-5-dodecoxyphenol;5-dodecoxy-2-[4-(2-ethylhexylsulfanyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexylsulfanyl)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol
CID 165030852
2-[4-chrysen-6-yl-6-(2-ethylhexylsulfanyl)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-(2-ethylhexoxy)-2-[4-(2-ethylhexylsulfanyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-(2-ethylhexoxy)-2-[4-(2-ethylhexylsulfanyl)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol;2-(4-hexylsulfanyl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;2-(4-hexylsulfanyl-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
CID 165036271
5-dodecoxy-2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768607
2-(4-anthracen-2-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-dodecoxyphenol
CID 164768811
2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 159852264
2-(4-anthracen-2-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-anthracen-9-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-chrysen-6-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-hexoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165028319
2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
CID 165083326
5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137127599

Frequently Asked Questions

What is the IUPAC name of 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol (CID 165067142) is 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol is CCCCC(CC)COc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3ccc4cc5ccccc5cc4c3)n2)c(O)c1.CCCCCCCCCCCCOc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3cc4ccccc4c4ccccc34)n2)c(O)c1.CCCCCCCCCCCCOc1ccc(-c2nc(OCC(CC)CCCC)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(O)c1.
What is the InChIKey of 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol?
The InChIKey is SDRHEDMTEXNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H55N3O3.C43H55N3O3.C39H47N3O3/c1-4-7-9-10-11-12-13-14-15-16-29-50-36-25-28-39(40(49)30-36)44-46-43(47-45(48-44)51-31-32(6-3)18-8-5-2)38-27-24-35-22-21-33-19-17-20-34-23-26-37(38)42(35)41(33)34;1-4-7-9-10-11-12-13-14-15-20-28-48-34-26-27-38(40(47)30-34)41-44-42(46-43(45-41)49-31-32(6-3)21-8-5-2)39-29-33-22-16-17-23-35(33)36-24-18-19-25-37(36)39;1-5-9-13-27(7-3)25-44-34-19-20-35(36(43)24-34)38-40-37(41-39(42-38)45-26-28(8-4)14-10-6-2)32-18-17-31-21-29-15-11-12-16-30(29)22-33(31)23-32/h17,19-28,30,32,49H,4-16,18,29,31H2,1-3H3;16-19,22-27,29-30,32,47H,4-15,20-21,28,31H2,1-3H3;11-12,15-24,27-28,43H,5-10,13-14,25-26H2,1-4H3.
What are the key properties of 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol?
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol has a molecular weight of 1953.71 g/mol, XLogP of 35.22, 58 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 165067142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).