[2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate

C158H145N9O32 — CID 158700836

About [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate

[2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate (PubChem CID 158700836) has the molecular formula C158H145N9O32 and a molecular weight of 2681.93 g/mol. Its IUPAC name is [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate.

Molecular Properties

• Compound Name: [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
• PubChem CID: 158700836
• Molecular Formula: C158H145N9O32
• Molecular Weight: 2681.93 g/mol
• Exact Mass: 2680.00
• IUPAC Name: [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
• SMILES: C=C(C)C(=O)OCC(CO)(COC(=O)C(=C)C)COC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.C=CC(=C)OCC(CO)(COC(=O)C=C)COC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1)(COC(=O)C=C)COC(=O)C=C
• InChI: InChI=1S/C61H57N3O15.C49H45N3O9.C48H43N3O8/c1-7-51(66)73-35-60(36-74-52(67)8-2,37-75-53(68)9-3)33-72-34-61(38-76-54(69)10-4,39-77-55(70)11-5)40-78-59(71)41(6)79-48-30-31-49(50(65)32-48)58-63-56(46-26-22-44(23-27-46)42-18-14-12-15-19-42)62-57(64-58)47-28-24-45(25-29-47)43-20-16-13-17-21-43;1-31(2)46(55)58-28-49(27-53,29-59-47(56)32(3)4)30-60-48(57)33(5)61-40-24-25-41(42(54)26-40)45-51-43(38-20-16-36(17-21-38)34-12-8-6-9-13-34)50-44(52-45)39-22-18-37(19-23-39)35-14-10-7-11-15-35;1-5-32(3)56-29-48(28-52,30-57-43(54)6-2)31-58-47(55)33(4)59-40-25-26-41(42(53)27-40)46-50-44(38-21-17-36(18-22-38)34-13-9-7-10-14-34)49-45(51-46)39-23-19-37(20-24-39)35-15-11-8-12-16-35/h7-32,41,65H,1-5,33-40H2,6H3;6-26,33,53-54H,1,3,27-30H2,2,4-5H3;5-27,33,52-53H,1-3,28-31H2,4H3
• InChIKey: IHNICNBWZRCLDK-UHFFFAOYSA-N
• XLogP: 25.94
• TPSA: 552.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 64
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2681.93
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate?

The IUPAC name of [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate (CID 158700836) is [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate.

What is the SMILES notation for [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate?

The canonical SMILES for [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate is C=C(C)C(=O)OCC(CO)(COC(=O)C(=C)C)COC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.C=CC(=C)OCC(CO)(COC(=O)C=C)COC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1)(COC(=O)C=C)COC(=O)C=C.

What is the InChIKey of [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate?

The InChIKey is IHNICNBWZRCLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H57N3O15.C49H45N3O9.C48H43N3O8/c1-7-51(66)73-35-60(36-74-52(67)8-2,37-75-53(68)9-3)33-72-34-61(38-76-54(69)10-4,39-77-55(70)11-5)40-78-59(71)41(6)79-48-30-31-49(50(65)32-48)58-63-56(46-26-22-44(23-27-46)42-18-14-12-15-19-42)62-57(64-58)47-28-24-45(25-29-47)43-20-16-13-17-21-43;1-31(2)46(55)58-28-49(27-53,29-59-47(56)32(3)4)30-60-48(57)33(5)61-40-24-25-41(42(54)26-40)45-51-43(38-20-16-36(17-21-38)34-12-8-6-9-13-34)50-44(52-45)39-22-18-37(19-23-39)35-14-10-7-11-15-35;1-5-32(3)56-29-48(28-52,30-57-43(54)6-2)31-58-47(55)33(4)59-40-25-26-41(42(53)27-40)46-50-44(38-21-17-36(18-22-38)34-13-9-7-10-14-34)49-45(51-46)39-23-19-37(20-24-39)35-15-11-8-12-16-35/h7-32,41,65H,1-5,33-40H2,6H3;6-26,33,53-54H,1,3,27-30H2,2,4-5H3;5-27,33,52-53H,1-3,28-31H2,4H3.

What are the key properties of [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate?

[2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate has a molecular weight of 2681.93 g/mol, XLogP of 25.94, 64 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoyloxymethyl]-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(buta-1,3-dien-2-yloxymethyl)-2-(hydroxymethyl)-3-prop-2-enoyloxypropyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate is sourced from PubChem (CID 158700836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).