[9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate

C64H52F6O8 — CID 129041368

IUPAC[9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc2c(c1)C(C)(C(F)(F)F)c1cc(-c3ccc4c(c3)C(COC(=O)C(=C)C)(COC(=O)C(=C)C)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(C(=C)OC(=O)C(=C)C)ccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C64H52F6O8/c1-33(2)56(71)75-30-38-12-18-44-46-20-14-40(26-52(46)60(10,50(44)24-38)63(65,66)67)42-16-22-48-49-23-17-43(29-55(49)62(54(48)28-42,31-76-57(72)34(3)4)32-77-58(73)35(5)6)41-15-21-47-45-19-13-39(37(9)78-59(74)36(7)8)25-51(45)61(11,53(47)27-41)64(68,69)70/h12-29H,1,3,5,7,9,30-32H2,2,4,6,8,10-11H3
InChIKeySPQDTCXPZBRXGM-UHFFFAOYSA-N
MW1063.10 g/mol
LogP14.93
Rot. Bonds14

About [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate

[9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 129041368) has the molecular formula C64H52F6O8 and a molecular weight of 1063.10 g/mol. Its IUPAC name is [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate
PubChem CID129041368
Molecular FormulaC64H52F6O8
Molecular Weight1063.10 g/mol
Exact Mass1062.36
IUPAC Name[9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc2c(c1)C(C)(C(F)(F)F)c1cc(-c3ccc4c(c3)C(COC(=O)C(=C)C)(COC(=O)C(=C)C)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(C(=C)OC(=O)C(=C)C)ccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C64H52F6O8/c1-33(2)56(71)75-30-38-12-18-44-46-20-14-40(26-52(46)60(10,50(44)24-38)63(65,66)67)42-16-22-48-49-23-17-43(29-55(49)62(54(48)28-42,31-76-57(72)34(3)4)32-77-58(73)35(5)6)41-15-21-47-45-19-13-39(37(9)78-59(74)36(7)8)25-51(45)61(11,53(47)27-41)64(68,69)70/h12-29H,1,3,5,7,9,30-32H2,2,4,6,8,10-11H3
InChIKeySPQDTCXPZBRXGM-UHFFFAOYSA-N
XLogP14.93
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.10
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate (CID 129041368) is [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc2c(c1)C(C)(C(F)(F)F)c1cc(-c3ccc4c(c3)C(COC(=O)C(=C)C)(COC(=O)C(=C)C)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(C(=C)OC(=O)C(=C)C)ccc5-6)ccc3-4)ccc1-2.
What is the InChIKey of [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is SPQDTCXPZBRXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52F6O8/c1-33(2)56(71)75-30-38-12-18-44-46-20-14-40(26-52(46)60(10,50(44)24-38)63(65,66)67)42-16-22-48-49-23-17-43(29-55(49)62(54(48)28-42,31-76-57(72)34(3)4)32-77-58(73)35(5)6)41-15-21-47-45-19-13-39(37(9)78-59(74)36(7)8)25-51(45)61(11,53(47)27-41)64(68,69)70/h12-29H,1,3,5,7,9,30-32H2,2,4,6,8,10-11H3.
What are the key properties of [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate?
[9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 1063.10 g/mol, XLogP of 14.93, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [9-methyl-7-[7-[9-methyl-7-[1-(2-methylprop-2-enoyloxy)ethenyl]-9-(trifluoromethyl)fluoren-2-yl]-9,9-bis(2-methylprop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 129041368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).