[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone

C68H46F6O7 — CID 58769531

IUPAC[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(-c6ccc(C(=O)c7ccc(C)cc7)cc6)c(C(=O)c6ccc(Oc7ccc(Oc8ccccc8)cc7)cc6)c5)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C68H46F6O7/c1-43-8-10-46(11-9-43)63(75)48-18-14-45(15-19-48)61-41-24-51(42-62(61)65(77)50-22-31-57(32-23-50)81-60-39-37-59(38-40-60)79-55-6-4-3-5-7-55)44-12-16-47(17-13-44)64(76)49-20-29-56(30-21-49)80-58-35-27-53(28-36-58)66(67(69,70)71,68(72,73)74)52-25-33-54(78-2)34-26-52/h3-42H,1-2H3
InChIKeyGHFZLXJNPRAKED-UHFFFAOYSA-N
MW1089.10 g/mol
LogP17.82
Rot. Bonds17

About [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone

[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 58769531) has the molecular formula C68H46F6O7 and a molecular weight of 1089.10 g/mol. Its IUPAC name is [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone
PubChem CID58769531
Molecular FormulaC68H46F6O7
Molecular Weight1089.10 g/mol
Exact Mass1088.31
IUPAC Name[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(-c6ccc(C(=O)c7ccc(C)cc7)cc6)c(C(=O)c6ccc(Oc7ccc(Oc8ccccc8)cc7)cc6)c5)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C68H46F6O7/c1-43-8-10-46(11-9-43)63(75)48-18-14-45(15-19-48)61-41-24-51(42-62(61)65(77)50-22-31-57(32-23-50)81-60-39-37-59(38-40-60)79-55-6-4-3-5-7-55)44-12-16-47(17-13-44)64(76)49-20-29-56(30-21-49)80-58-35-27-53(28-36-58)66(67(69,70)71,68(72,73)74)52-25-33-54(78-2)34-26-52/h3-42H,1-2H3
InChIKeyGHFZLXJNPRAKED-UHFFFAOYSA-N
XLogP17.82
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.10
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone (CID 58769531) is [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone is COc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(-c6ccc(C(=O)c7ccc(C)cc7)cc6)c(C(=O)c6ccc(Oc7ccc(Oc8ccccc8)cc7)cc6)c5)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is GHFZLXJNPRAKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46F6O7/c1-43-8-10-46(11-9-43)63(75)48-18-14-45(15-19-48)61-41-24-51(42-62(61)65(77)50-22-31-57(32-23-50)81-60-39-37-59(38-40-60)79-55-6-4-3-5-7-55)44-12-16-47(17-13-44)64(76)49-20-29-56(30-21-49)80-58-35-27-53(28-36-58)66(67(69,70)71,68(72,73)74)52-25-33-54(78-2)34-26-52/h3-42H,1-2H3.
What are the key properties of [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone?
[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 1089.10 g/mol, XLogP of 17.82, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 58769531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).