[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone

C57H46O7 — CID 143546093

IUPAC[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
SMILESCC(C)(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(OC(C)(C)c4ccc(Oc5ccc(C(=O)c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H46O7/c1-56(2,63-51-31-19-43(20-32-51)54(59)40-13-9-6-10-14-40)45-25-37-50(38-26-45)62-48-29-17-42(18-30-48)55(60)44-21-33-52(34-22-44)64-57(3,4)46-23-35-49(36-24-46)61-47-27-15-41(16-28-47)53(58)39-11-7-5-8-12-39/h5-38H,1-4H3
InChIKeyGBHXGFGHLDWEIB-UHFFFAOYSA-N
MW842.99 g/mol
LogP13.59
Rot. Bonds16

About [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone

[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone (PubChem CID 143546093) has the molecular formula C57H46O7 and a molecular weight of 842.99 g/mol. Its IUPAC name is [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
PubChem CID143546093
Molecular FormulaC57H46O7
Molecular Weight842.99 g/mol
Exact Mass842.32
IUPAC Name[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
SMILESCC(C)(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(OC(C)(C)c4ccc(Oc5ccc(C(=O)c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H46O7/c1-56(2,63-51-31-19-43(20-32-51)54(59)40-13-9-6-10-14-40)45-25-37-50(38-26-45)62-48-29-17-42(18-30-48)55(60)44-21-33-52(34-22-44)64-57(3,4)46-23-35-49(36-24-46)61-47-27-15-41(16-28-47)53(58)39-11-7-5-8-12-39/h5-38H,1-4H3
InChIKeyGBHXGFGHLDWEIB-UHFFFAOYSA-N
XLogP13.59
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.99
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
CID 162436505
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
triphenyl-[4-[4-[4-[2-[4-[4-(4-triphenylphosphaniumylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]phosphanium dichloride
CID 169426235
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone
CID 145160096
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone (CID 143546093) is [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone is CC(C)(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(OC(C)(C)c4ccc(Oc5ccc(C(=O)c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone?
The InChIKey is GBHXGFGHLDWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46O7/c1-56(2,63-51-31-19-43(20-32-51)54(59)40-13-9-6-10-14-40)45-25-37-50(38-26-45)62-48-29-17-42(18-30-48)55(60)44-21-33-52(34-22-44)64-57(3,4)46-23-35-49(36-24-46)61-47-27-15-41(16-28-47)53(58)39-11-7-5-8-12-39/h5-38H,1-4H3.
What are the key properties of [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone?
[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone has a molecular weight of 842.99 g/mol, XLogP of 13.59, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 143546093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).