[4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate

C92H74F4O8 — CID 59770684

About [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate

[4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate (PubChem CID 59770684) has the molecular formula C92H74F4O8 and a molecular weight of 1383.59 g/mol. Its IUPAC name is [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate.

Molecular Properties

• Compound Name: [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate
• PubChem CID: 59770684
• Molecular Formula: C92H74F4O8
• Molecular Weight: 1383.59 g/mol
• Exact Mass: 1382.53
• IUPAC Name: [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate
• SMILES: C=C(F)C(=O)OCc1ccc(Cc2ccc(Cc3ccc4c(-c5c(Cc6ccc(Cc7ccc(COC(=O)C(=C)F)cc7)cc6)ccc6cc(Cc7ccc(Cc8ccc(COC(=O)C(=C)F)cc8)cc7)ccc56)cc(Cc5ccc(Cc6ccc(COC(=O)C(=C)F)cc6)cc5)cc4c3)cc2)cc1
• InChI: InChI=1S/C92H74F4O8/c1-59(93)89(97)101-55-75-29-21-67(22-30-75)43-63-5-11-71(12-6-63)47-79-38-42-86-82(51-79)39-40-83(50-74-19-17-66(18-20-74)46-70-27-35-78(36-28-70)58-104-92(100)62(4)96)88(86)87-54-81(49-73-15-9-65(10-16-73)45-69-25-33-77(34-26-69)57-103-91(99)61(3)95)53-84-52-80(37-41-85(84)87)48-72-13-7-64(8-14-72)44-68-23-31-76(32-24-68)56-102-90(98)60(2)94/h5-42,51-54H,1-4,43-50,55-58H2
• InChIKey: OMGRORHSQVFRKN-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 105.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 29
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1383.59
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate?

The IUPAC name of [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate (CID 59770684) is [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate.

What is the SMILES notation for [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate?

The canonical SMILES for [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCc1ccc(Cc2ccc(Cc3ccc4c(-c5c(Cc6ccc(Cc7ccc(COC(=O)C(=C)F)cc7)cc6)ccc6cc(Cc7ccc(Cc8ccc(COC(=O)C(=C)F)cc8)cc7)ccc56)cc(Cc5ccc(Cc6ccc(COC(=O)C(=C)F)cc6)cc5)cc4c3)cc2)cc1.

What is the InChIKey of [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate?

The InChIKey is OMGRORHSQVFRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H74F4O8/c1-59(93)89(97)101-55-75-29-21-67(22-30-75)43-63-5-11-71(12-6-63)47-79-38-42-86-82(51-79)39-40-83(50-74-19-17-66(18-20-74)46-70-27-35-78(36-28-70)58-104-92(100)62(4)96)88(86)87-54-81(49-73-15-9-65(10-16-73)45-69-25-33-77(34-26-69)57-103-91(99)61(3)95)53-84-52-80(37-41-85(84)87)48-72-13-7-64(8-14-72)44-68-23-31-76(32-24-68)56-102-90(98)60(2)94/h5-42,51-54H,1-4,43-50,55-58H2.

What are the key properties of [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate?

[4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate has a molecular weight of 1383.59 g/mol, XLogP of 20.49, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-[[5-[3,6-bis[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-1-yl]-6-[[4-[[4-(2-fluoroprop-2-enoyloxymethyl)phenyl]methyl]phenyl]methyl]naphthalen-2-yl]methyl]phenyl]methyl]phenyl]methyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 59770684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).