(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone

C68H49F3O7 — CID 20820736

IUPAC(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(C(=O)c6ccc(-c7ccc(C)cc7C(=O)c7ccc(Oc8ccc(Oc9ccccc9)cc8)cc7)cc6)cc5)cc4)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C68H49F3O7/c1-44-9-12-47(13-10-44)64(72)49-18-28-55(29-19-49)76-58-34-24-52(25-35-58)67(3,68(69,70)71)53-26-36-59(37-27-53)77-56-30-20-50(21-31-56)65(73)48-16-14-46(15-17-48)62-42-11-45(2)43-63(62)66(74)51-22-32-57(33-23-51)78-61-40-38-60(39-41-61)75-54-7-5-4-6-8-54/h4-43H,1-3H3
InChIKeyVMIDVWCUQNWAKJ-UHFFFAOYSA-N
MW1035.13 g/mol
LogP17.70
Rot. Bonds17

About (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone

(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone (PubChem CID 20820736) has the molecular formula C68H49F3O7 and a molecular weight of 1035.13 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
PubChem CID20820736
Molecular FormulaC68H49F3O7
Molecular Weight1035.13 g/mol
Exact Mass1034.34
IUPAC Name(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(C(=O)c6ccc(-c7ccc(C)cc7C(=O)c7ccc(Oc8ccc(Oc9ccccc9)cc8)cc7)cc6)cc5)cc4)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C68H49F3O7/c1-44-9-12-47(13-10-44)64(72)49-18-28-55(29-19-49)76-58-34-24-52(25-35-58)67(3,68(69,70)71)53-26-36-59(37-27-53)77-56-30-20-50(21-31-56)65(73)48-16-14-46(15-17-48)62-42-11-45(2)43-63(62)66(74)51-22-32-57(33-23-51)78-61-40-38-60(39-41-61)75-54-7-5-4-6-8-54/h4-43H,1-3H3
InChIKeyVMIDVWCUQNWAKJ-UHFFFAOYSA-N
XLogP17.70
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.13
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

C.I. Vat Green 1
CID 31410
1,4-Phenylene bis((4-phenoxyphenyl)-methanone)
CID 2058710
(3,4-Dimethyl-phenyl)-(4-phenoxy-phenyl)-methanone
CID 3342765
Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 16,17-bis(decyloxy)-
CID 172825
1-[(E)-3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]anthracene-9,10-dione
CID 118719428
(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 171358471
(E)-3-naphthalen-1-yl-1-[4-[3-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenoxy]propoxy]phenyl]prop-2-en-1-one
CID 172455290
Phenyl 1,4-bis[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylate
CID 102173481
1-(4-Methoxy-5'-(trifluoromethyl)-[1,1':3',1''-terphenyl]-4'-yl)ethan-1-one
CID 77461547
(4-Methoxy-5'-(trifluoromethyl)-[1,1':3',1''-terphenyl]-4'-yl)(phenyl)methanone
CID 77461548
Methanone, 1,3-phenylenebis[(4-phenoxyphenyl)-
CID 11070706
2,3-Bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione
CID 394548

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone (CID 20820736) is (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone is Cc1ccc(C(=O)c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(C(=O)c6ccc(-c7ccc(C)cc7C(=O)c7ccc(Oc8ccc(Oc9ccccc9)cc8)cc7)cc6)cc5)cc4)C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone?
The InChIKey is VMIDVWCUQNWAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49F3O7/c1-44-9-12-47(13-10-44)64(72)49-18-28-55(29-19-49)76-58-34-24-52(25-35-58)67(3,68(69,70)71)53-26-36-59(37-27-53)77-56-30-20-50(21-31-56)65(73)48-16-14-46(15-17-48)62-42-11-45(2)43-63(62)66(74)51-22-32-57(33-23-51)78-61-40-38-60(39-41-61)75-54-7-5-4-6-8-54/h4-43H,1-3H3.
What are the key properties of (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone?
(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone has a molecular weight of 1035.13 g/mol, XLogP of 17.70, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-methyl-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone is sourced from PubChem (CID 20820736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).