[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone

C72H58F6O10 — CID 59729842

IUPAC[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(-c7ccc(C)c(C(=O)c8cc(Oc9ccc(OC%10CCCCO%10)cc9)ccc8OC8CCCCO8)c7)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C72H58F6O10/c1-45-9-12-48(13-10-45)67(79)50-19-27-55(28-20-50)84-57-31-23-53(24-32-57)70(71(73,74)75,72(76,77)78)54-25-33-58(34-26-54)85-56-29-21-51(22-30-56)68(80)49-17-15-47(16-18-49)52-14-11-46(2)62(43-52)69(81)63-44-61(39-40-64(63)88-66-8-4-6-42-83-66)86-59-35-37-60(38-36-59)87-65-7-3-5-41-82-65/h9-40,43-44,65-66H,3-8,41-42H2,1-2H3
InChIKeyZSLBRPBOSAYCCW-UHFFFAOYSA-N
MW1197.23 g/mol
LogP18.26
Rot. Bonds19

About [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone

[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 59729842) has the molecular formula C72H58F6O10 and a molecular weight of 1197.23 g/mol. Its IUPAC name is [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
PubChem CID59729842
Molecular FormulaC72H58F6O10
Molecular Weight1197.23 g/mol
Exact Mass1196.39
IUPAC Name[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(-c7ccc(C)c(C(=O)c8cc(Oc9ccc(OC%10CCCCO%10)cc9)ccc8OC8CCCCO8)c7)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C72H58F6O10/c1-45-9-12-48(13-10-45)67(79)50-19-27-55(28-20-50)84-57-31-23-53(24-32-57)70(71(73,74)75,72(76,77)78)54-25-33-58(34-26-54)85-56-29-21-51(22-30-56)68(80)49-17-15-47(16-18-49)52-14-11-46(2)62(43-52)69(81)63-44-61(39-40-64(63)88-66-8-4-6-42-83-66)86-59-35-37-60(38-36-59)87-65-7-3-5-41-82-65/h9-40,43-44,65-66H,3-8,41-42H2,1-2H3
InChIKeyZSLBRPBOSAYCCW-UHFFFAOYSA-N
XLogP18.26
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.23
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone (CID 59729842) is [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(-c7ccc(C)c(C(=O)c8cc(Oc9ccc(OC%10CCCCO%10)cc9)ccc8OC8CCCCO8)c7)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The InChIKey is ZSLBRPBOSAYCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58F6O10/c1-45-9-12-48(13-10-45)67(79)50-19-27-55(28-20-50)84-57-31-23-53(24-32-57)70(71(73,74)75,72(76,77)78)54-25-33-58(34-26-54)85-56-29-21-51(22-30-56)68(80)49-17-15-47(16-18-49)52-14-11-46(2)62(43-52)69(81)63-44-61(39-40-64(63)88-66-8-4-6-42-83-66)86-59-35-37-60(38-36-59)87-65-7-3-5-41-82-65/h9-40,43-44,65-66H,3-8,41-42H2,1-2H3.
What are the key properties of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 1197.23 g/mol, XLogP of 18.26, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[2-(oxan-2-yloxy)-5-[4-(oxan-2-yloxy)phenoxy]benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 59729842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).