[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate

C140H140F12O24 — CID 90868378

IUPAC[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OC1CCC(C2CCC(OCOc3ccc(OCOc4cc(-c5c(OCOc6ccc(OCOC7CCC(C8CCC(OC(=O)C(=C)C(F)(F)F)CC8)CC7)cc6)ccc6cc(C)ccc56)c5ccc(C)cc5c4)cc3)CC2)CC1)C(F)(F)F.C=C(C(=O)OC1CCC(c2ccc(OCOc3ccc(OCOc4cc(-c5c(OCOc6ccc(OCOc7ccc(C8CCC(OC(=O)C(=C)C(F)(F)F)CC8)cc7)cc6)ccc6cc(C)ccc56)c5ccc(C)cc5c4)cc3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C70H76F6O12.C70H64F6O12/c2*1-43-6-33-63-51(35-43)15-34-65(86-42-84-58-30-28-56(29-31-58)82-40-80-54-18-9-48(10-19-54)50-13-22-60(23-14-50)88-68(78)46(4)70(74,75)76)66(63)64-38-61(37-52-36-44(2)5-32-62(52)64)85-41-83-57-26-24-55(25-27-57)81-39-79-53-16-7-47(8-17-53)49-11-20-59(21-12-49)87-67(77)45(3)69(71,72)73/h5-6,15,24-38,47-50,53-54,59-60H,3-4,7-14,16-23,39-42H2,1-2H3;5-10,15-19,24-38,49-50,59-60H,3-4,11-14,20-23,39-42H2,1-2H3
InChIKeyLUXXXULNOHZLIJ-UHFFFAOYSA-N
MW2434.61 g/mol
LogP34.69
Rot. Bonds46

About [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate

[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate (PubChem CID 90868378) has the molecular formula C140H140F12O24 and a molecular weight of 2434.61 g/mol. Its IUPAC name is [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Name[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
PubChem CID90868378
Molecular FormulaC140H140F12O24
Molecular Weight2434.61 g/mol
Exact Mass2432.95
IUPAC Name[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OC1CCC(C2CCC(OCOc3ccc(OCOc4cc(-c5c(OCOc6ccc(OCOC7CCC(C8CCC(OC(=O)C(=C)C(F)(F)F)CC8)CC7)cc6)ccc6cc(C)ccc56)c5ccc(C)cc5c4)cc3)CC2)CC1)C(F)(F)F.C=C(C(=O)OC1CCC(c2ccc(OCOc3ccc(OCOc4cc(-c5c(OCOc6ccc(OCOc7ccc(C8CCC(OC(=O)C(=C)C(F)(F)F)CC8)cc7)cc6)ccc6cc(C)ccc56)c5ccc(C)cc5c4)cc3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C70H76F6O12.C70H64F6O12/c2*1-43-6-33-63-51(35-43)15-34-65(86-42-84-58-30-28-56(29-31-58)82-40-80-54-18-9-48(10-19-54)50-13-22-60(23-14-50)88-68(78)46(4)70(74,75)76)66(63)64-38-61(37-52-36-44(2)5-32-62(52)64)85-41-83-57-26-24-55(25-27-57)81-39-79-53-16-7-47(8-17-53)49-11-20-59(21-12-49)87-67(77)45(3)69(71,72)73/h5-6,15,24-38,47-50,53-54,59-60H,3-4,7-14,16-23,39-42H2,1-2H3;5-10,15-19,24-38,49-50,59-60H,3-4,11-14,20-23,39-42H2,1-2H3
InChIKeyLUXXXULNOHZLIJ-UHFFFAOYSA-N
XLogP34.69
TPSA252.88 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds46
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002434.61
LogP ≤ 534.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate (CID 90868378) is [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)OC1CCC(C2CCC(OCOc3ccc(OCOc4cc(-c5c(OCOc6ccc(OCOC7CCC(C8CCC(OC(=O)C(=C)C(F)(F)F)CC8)CC7)cc6)ccc6cc(C)ccc56)c5ccc(C)cc5c4)cc3)CC2)CC1)C(F)(F)F.C=C(C(=O)OC1CCC(c2ccc(OCOc3ccc(OCOc4cc(-c5c(OCOc6ccc(OCOc7ccc(C8CCC(OC(=O)C(=C)C(F)(F)F)CC8)cc7)cc6)ccc6cc(C)ccc56)c5ccc(C)cc5c4)cc3)cc2)CC1)C(F)(F)F.
What is the InChIKey of [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is LUXXXULNOHZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H76F6O12.C70H64F6O12/c2*1-43-6-33-63-51(35-43)15-34-65(86-42-84-58-30-28-56(29-31-58)82-40-80-54-18-9-48(10-19-54)50-13-22-60(23-14-50)88-68(78)46(4)70(74,75)76)66(63)64-38-61(37-52-36-44(2)5-32-62(52)64)85-41-83-57-26-24-55(25-27-57)81-39-79-53-16-7-47(8-17-53)49-11-20-59(21-12-49)87-67(77)45(3)69(71,72)73/h5-6,15,24-38,47-50,53-54,59-60H,3-4,7-14,16-23,39-42H2,1-2H3;5-10,15-19,24-38,49-50,59-60H,3-4,11-14,20-23,39-42H2,1-2H3.
What are the key properties of [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate?
[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 2434.61 g/mol, XLogP of 34.69, 46 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]cyclohexyl]oxymethoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]cyclohexyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate;[4-[4-[[4-[[6-methyl-1-[6-methyl-3-[[4-[[4-[4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexyl]phenoxy]methoxy]phenoxy]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethoxy]phenoxy]methoxy]phenyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 90868378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).