2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate

C181H181N15O46 — CID 159480204

About 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate

2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate (PubChem CID 159480204) has the molecular formula C181H181N15O46 and a molecular weight of 3302.50 g/mol. Its IUPAC name is 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate.

Molecular Properties

• Compound Name: 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
• PubChem CID: 159480204
• Molecular Formula: C181H181N15O46
• Molecular Weight: 3302.50 g/mol
• Exact Mass: 3300.23
• IUPAC Name: 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
• SMILES: C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCC(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)NC(C)(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.C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCCOCCOCCOC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.C=CC(=O)OCCNC(=O)OCC(CC)(COC(=O)NCCOC(=O)C=C)COC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1
• InChI: InChI=1S/C74H76N6O22.C54H53N5O12.C53H52N4O12/c1-11-58(82)92-38-71(8,39-93-59(83)12-2)78-68(89)99-45-74(46-100-69(90)79-72(9,40-94-60(84)13-3)41-95-61(85)14-4,47-101-70(91)80-73(10,42-96-62(86)15-5)43-97-63(87)16-6)44-98-67(88)48(7)102-55-35-36-56(57(81)37-55)66-76-64(53-31-27-51(28-32-53)49-23-19-17-20-24-49)75-65(77-66)54-33-29-52(30-34-54)50-25-21-18-22-26-50;1-5-46(61)66-30-28-55-52(64)69-34-54(7-3,35-70-53(65)56-29-31-67-47(62)6-2)33-68-51(63)36(4)71-43-26-27-44(45(60)32-43)50-58-48(41-22-18-39(19-23-41)37-14-10-8-11-15-37)57-49(59-50)42-24-20-40(21-25-42)38-16-12-9-13-17-38;1-5-46(59)67-34-53(4,35-68-47(60)6-2)57-52(62)66-32-30-64-28-27-63-29-31-65-51(61)36(3)69-43-25-26-44(45(58)33-43)50-55-48(41-21-17-39(18-22-41)37-13-9-7-10-14-37)54-49(56-50)42-23-19-40(20-24-42)38-15-11-8-12-16-38/h11-37,48,81H,1-6,38-47H2,7-10H3,(H,78,89)(H,79,90)(H,80,91);5-6,8-27,32,36,60H,1-2,7,28-31,33-35H2,3-4H3,(H,55,64)(H,56,65);5-26,33,36,58H,1-2,27-32,34-35H2,3-4H3,(H,57,62)
• InChIKey: LWXGFAUAZBQVBU-UHFFFAOYSA-N
• XLogP: 25.77
• TPSA: 794.73 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 55
• Rotatable Bonds: 84
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3302.50
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate?

The IUPAC name of 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate (CID 159480204) is 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate.

What is the SMILES notation for 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate?

The canonical SMILES for 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate is C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCC(COC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)NC(C)(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.C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCCOCCOCCOC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.C=CC(=O)OCCNC(=O)OCC(CC)(COC(=O)NCCOC(=O)C=C)COC(=O)C(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.

What is the InChIKey of 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate?

The InChIKey is LWXGFAUAZBQVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H76N6O22.C54H53N5O12.C53H52N4O12/c1-11-58(82)92-38-71(8,39-93-59(83)12-2)78-68(89)99-45-74(46-100-69(90)79-72(9,40-94-60(84)13-3)41-95-61(85)14-4,47-101-70(91)80-73(10,42-96-62(86)15-5)43-97-63(87)16-6)44-98-67(88)48(7)102-55-35-36-56(57(81)37-55)66-76-64(53-31-27-51(28-32-53)49-23-19-17-20-24-49)75-65(77-66)54-33-29-52(30-34-54)50-25-21-18-22-26-50;1-5-46(61)66-30-28-55-52(64)69-34-54(7-3,35-70-53(65)56-29-31-67-47(62)6-2)33-68-51(63)36(4)71-43-26-27-44(45(60)32-43)50-58-48(41-22-18-39(19-23-41)37-14-10-8-11-15-37)57-49(59-50)42-24-20-40(21-25-42)38-16-12-9-13-17-38;1-5-46(59)67-34-53(4,35-68-47(60)6-2)57-52(62)66-32-30-64-28-27-63-29-31-65-51(61)36(3)69-43-25-26-44(45(58)33-43)50-55-48(41-21-17-39(18-22-41)37-13-9-7-10-14-37)54-49(56-50)42-23-19-40(20-24-42)38-15-11-8-12-16-38/h11-37,48,81H,1-6,38-47H2,7-10H3,(H,78,89)(H,79,90)(H,80,91);5-6,8-27,32,36,60H,1-2,7,28-31,33-35H2,3-4H3,(H,55,64)(H,56,65);5-26,33,36,58H,1-2,27-32,34-35H2,3-4H3,(H,57,62).

What are the key properties of 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate?

2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate has a molecular weight of 3302.50 g/mol, XLogP of 25.77, 84 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;[3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]-2,2-bis[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxymethyl]propyl] 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoyloxy]ethoxy]ethoxy]ethyl 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate is sourced from PubChem (CID 159480204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).