tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)

C291H294N8O55 — CID 158733711

About tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)

tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate) (PubChem CID 158733711) has the molecular formula C291H294N8O55 and a molecular weight of 4783.55 g/mol. Its IUPAC name is tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate).

Molecular Properties

• Compound Name: tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)
• PubChem CID: 158733711
• Molecular Formula: C291H294N8O55
• Molecular Weight: 4783.55 g/mol
• Exact Mass: 4780.05
• IUPAC Name: tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1
• InChI: InChI=1S/4C25H19NO5.C25H22O5.4C24H17NO5.2C24H20O5.22CH4/c4*1-17(2)24(27)30-16-29-22-11-9-21(10-12-22)25(28)31-23-13-7-20(8-14-23)19-5-3-18(15-26)4-6-19;1-17(2)24(26)29-16-28-22-12-10-21(11-13-22)25(27)30-23-14-8-20(9-15-23)19-6-4-18(3)5-7-19;4*1-2-23(26)29-16-28-21-11-9-20(10-12-21)24(27)30-22-13-7-19(8-14-22)18-5-3-17(15-25)4-6-18;2*1-3-23(25)28-16-27-21-12-10-20(11-13-21)24(26)29-22-14-8-19(9-15-22)18-6-4-17(2)5-7-18;;;;;;;;;;;;;;;;;;;;;;/h4*3-14H,1,16H2,2H3;4-15H,1,16H2,2-3H3;4*2-14H,1,16H2;2*3-15H,1,16H2,2H3;22*1H4
• InChIKey: ILKIVCJGMMEVSG-UHFFFAOYSA-N
• XLogP: 66.86
• TPSA: 870.45 Ų
• H-Bond Acceptors: 63
• Rotatable Bonds: 77
• Heavy Atoms: 354
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4783.55
LogP ≤ 5	66.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)?

The IUPAC name of tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate) (CID 158733711) is tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate).

What is the SMILES notation for tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)?

The canonical SMILES for tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.

What is the InChIKey of tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)?

The InChIKey is ILKIVCJGMMEVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H19NO5.C25H22O5.4C24H17NO5.2C24H20O5.22CH4/c4*1-17(2)24(27)30-16-29-22-11-9-21(10-12-22)25(28)31-23-13-7-20(8-14-23)19-5-3-18(15-26)4-6-19;1-17(2)24(26)29-16-28-22-12-10-21(11-13-22)25(27)30-23-14-8-20(9-15-23)19-6-4-18(3)5-7-19;4*1-2-23(26)29-16-28-21-11-9-20(10-12-21)24(27)30-22-13-7-19(8-14-22)18-5-3-17(15-25)4-6-18;2*1-3-23(25)28-16-27-21-12-10-20(11-13-21)24(26)29-22-14-8-19(9-15-22)18-6-4-17(2)5-7-18;;;;;;;;;;;;;;;;;;;;;;/h4*3-14H,1,16H2,2H3;4-15H,1,16H2,2-3H3;4*2-14H,1,16H2;2*3-15H,1,16H2,2H3;22*1H4.

What are the key properties of tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)?

tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate) has a molecular weight of 4783.55 g/mol, XLogP of 66.86, 77 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate) is sourced from PubChem (CID 158733711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).