2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate

C79H64N6O8 — CID 158480090

About 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate

2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate (PubChem CID 158480090) has the molecular formula C79H64N6O8 and a molecular weight of 1225.42 g/mol. Its IUPAC name is 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate
• PubChem CID: 158480090
• Molecular Formula: C79H64N6O8
• Molecular Weight: 1225.42 g/mol
• Exact Mass: 1224.48
• IUPAC Name: 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate
• SMILES: C=C(C)C(=O)OCC(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.C=CC(=O)OCC(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1
• InChI: InChI=1S/C40H33N3O4.C39H31N3O4/c1-26(2)40(45)46-25-27(3)47-34-22-23-35(36(44)24-34)39-42-37(32-18-14-30(15-19-32)28-10-6-4-7-11-28)41-38(43-39)33-20-16-31(17-21-33)29-12-8-5-9-13-29;1-3-36(44)45-25-26(2)46-33-22-23-34(35(43)24-33)39-41-37(31-18-14-29(15-19-31)27-10-6-4-7-11-27)40-38(42-39)32-20-16-30(17-21-32)28-12-8-5-9-13-28/h4-24,27,44H,1,25H2,2-3H3;3-24,26,43H,1,25H2,2H3
• InChIKey: HHKNDBAZYYFAFB-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 188.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.42
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate?

The IUPAC name of 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate (CID 158480090) is 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate.

What is the SMILES notation for 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate?

The canonical SMILES for 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate is C=C(C)C(=O)OCC(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.C=CC(=O)OCC(C)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.

What is the InChIKey of 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate?

The InChIKey is HHKNDBAZYYFAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N3O4.C39H31N3O4/c1-26(2)40(45)46-25-27(3)47-34-22-23-35(36(44)24-34)39-42-37(32-18-14-30(15-19-32)28-10-6-4-7-11-28)41-38(43-39)33-20-16-31(17-21-33)29-12-8-5-9-13-29;1-3-36(44)45-25-26(2)46-33-22-23-34(35(43)24-33)39-41-37(31-18-14-29(15-19-31)27-10-6-4-7-11-27)40-38(42-39)32-20-16-30(17-21-32)28-12-8-5-9-13-28/h4-24,27,44H,1,25H2,2-3H3;3-24,26,43H,1,25H2,2H3.

What are the key properties of 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate?

2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate has a molecular weight of 1225.42 g/mol, XLogP of 17.21, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl 2-methylprop-2-enoate;2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propyl prop-2-enoate is sourced from PubChem (CID 158480090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).