[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone

C51H22F30O5 — CID 89308242

IUPAC[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(C(c2ccc(Oc3c(C(F)(F)F)c(C(F)(F)F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(C(F)(F)F)c(C(F)(F)F)c(C)c(C(F)(F)F)c6C(F)(F)F)cc5)cc4)c(C(F)(F)F)c3C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C51H22F30O5/c1-19-30(42(52,53)54)32(44(58,59)60)28(33(45(61,62)63)31(19)43(55,56)57)38(82)20-3-11-25(12-4-20)85-26-13-5-21(6-14-26)39(83)29-34(46(64,65)66)36(48(70,71)72)40(37(49(73,74)75)35(29)47(67,68)69)86-27-17-9-23(10-18-27)41(50(76,77)78,51(79,80)81)22-7-15-24(84-2)16-8-22/h3-18H,1-2H3
InChIKeyOLIMYRWOHPHCFE-UHFFFAOYSA-N
MW1284.67 g/mol
LogP19.61
Rot. Bonds11

About [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone

[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone (PubChem CID 89308242) has the molecular formula C51H22F30O5 and a molecular weight of 1284.67 g/mol. Its IUPAC name is [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone
PubChem CID89308242
Molecular FormulaC51H22F30O5
Molecular Weight1284.67 g/mol
Exact Mass1284.10
IUPAC Name[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(C(c2ccc(Oc3c(C(F)(F)F)c(C(F)(F)F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(C(F)(F)F)c(C(F)(F)F)c(C)c(C(F)(F)F)c6C(F)(F)F)cc5)cc4)c(C(F)(F)F)c3C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C51H22F30O5/c1-19-30(42(52,53)54)32(44(58,59)60)28(33(45(61,62)63)31(19)43(55,56)57)38(82)20-3-11-25(12-4-20)85-26-13-5-21(6-14-26)39(83)29-34(46(64,65)66)36(48(70,71)72)40(37(49(73,74)75)35(29)47(67,68)69)86-27-17-9-23(10-18-27)41(50(76,77)78,51(79,80)81)22-7-15-24(84-2)16-8-22/h3-18H,1-2H3
InChIKeyOLIMYRWOHPHCFE-UHFFFAOYSA-N
XLogP19.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001284.67
LogP ≤ 519.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone (CID 89308242) is [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone is COc1ccc(C(c2ccc(Oc3c(C(F)(F)F)c(C(F)(F)F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(C(F)(F)F)c(C(F)(F)F)c(C)c(C(F)(F)F)c6C(F)(F)F)cc5)cc4)c(C(F)(F)F)c3C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone?
The InChIKey is OLIMYRWOHPHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H22F30O5/c1-19-30(42(52,53)54)32(44(58,59)60)28(33(45(61,62)63)31(19)43(55,56)57)38(82)20-3-11-25(12-4-20)85-26-13-5-21(6-14-26)39(83)29-34(46(64,65)66)36(48(70,71)72)40(37(49(73,74)75)35(29)47(67,68)69)86-27-17-9-23(10-18-27)41(50(76,77)78,51(79,80)81)22-7-15-24(84-2)16-8-22/h3-18H,1-2H3.
What are the key properties of [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone?
[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone has a molecular weight of 1284.67 g/mol, XLogP of 19.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2,3,5,6-tetrakis(trifluoromethyl)benzoyl]phenoxy]phenyl]-[4-methyl-2,3,5,6-tetrakis(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 89308242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).