bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone

C85H58O9 — CID 58240025

IUPACbis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone
SMILESO=C(c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1)c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1
InChIInChI=1S/C85H58O9/c86-85(67-43-59(63-47-77(87-69-25-9-1-10-26-69)55-78(48-63)88-70-27-11-2-12-28-70)41-60(44-67)64-49-79(89-71-29-13-3-14-30-71)56-80(50-64)90-72-31-15-4-16-32-72)68-45-61(65-51-81(91-73-33-17-5-18-34-73)57-82(52-65)92-74-35-19-6-20-36-74)42-62(46-68)66-53-83(93-75-37-21-7-22-38-75)58-84(54-66)94-76-39-23-8-24-40-76/h1-58H
InChIKeyZFKROTMAEMMCCT-UHFFFAOYSA-N
MW1223.39 g/mol
LogP23.92
Rot. Bonds22

About bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone

bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone (PubChem CID 58240025) has the molecular formula C85H58O9 and a molecular weight of 1223.39 g/mol. Its IUPAC name is bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Namebis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone
PubChem CID58240025
Molecular FormulaC85H58O9
Molecular Weight1223.39 g/mol
Exact Mass1222.41
IUPAC Namebis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone
SMILESO=C(c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1)c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1
InChIInChI=1S/C85H58O9/c86-85(67-43-59(63-47-77(87-69-25-9-1-10-26-69)55-78(48-63)88-70-27-11-2-12-28-70)41-60(44-67)64-49-79(89-71-29-13-3-14-30-71)56-80(50-64)90-72-31-15-4-16-32-72)68-45-61(65-51-81(91-73-33-17-5-18-34-73)57-82(52-65)92-74-35-19-6-20-36-74)42-62(46-68)66-53-83(93-75-37-21-7-22-38-75)58-84(54-66)94-76-39-23-8-24-40-76/h1-58H
InChIKeyZFKROTMAEMMCCT-UHFFFAOYSA-N
XLogP23.92
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.39
LogP ≤ 523.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone
CID 58240053
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
[3-benzoyl-5-(3,5-dibenzoylbenzoyl)phenyl]-phenylmethanone;bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone;[3-[3,5-bis(3,5-dimethylbenzoyl)benzoyl]-5-(3,5-dimethylbenzoyl)phenyl]-(3,5-dimethylphenyl)methanone;[3-[3,5-bis(3-phenylbenzoyl)benzoyl]-5-(3-phenylbenzoyl)phenyl]-(3-phenylphenyl)methanone;[3-[3,5-bis(4-phenylbenzoyl)benzoyl]-5-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 159509626
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
bis[3,5-bis(2-phenylphenyl)phenyl]methanone
CID 58240064
hydroxy(oxo)phosphanium;phenoxybenzene
CID 162014005
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572

Frequently Asked Questions

What is the IUPAC name of bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone?
The IUPAC name of bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone (CID 58240025) is bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone.
What is the SMILES notation for bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone?
The canonical SMILES for bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone is O=C(c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1)c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1.
What is the InChIKey of bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone?
The InChIKey is ZFKROTMAEMMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H58O9/c86-85(67-43-59(63-47-77(87-69-25-9-1-10-26-69)55-78(48-63)88-70-27-11-2-12-28-70)41-60(44-67)64-49-79(89-71-29-13-3-14-30-71)56-80(50-64)90-72-31-15-4-16-32-72)68-45-61(65-51-81(91-73-33-17-5-18-34-73)57-82(52-65)92-74-35-19-6-20-36-74)42-62(46-68)66-53-83(93-75-37-21-7-22-38-75)58-84(54-66)94-76-39-23-8-24-40-76/h1-58H.
What are the key properties of bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone?
bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone has a molecular weight of 1223.39 g/mol, XLogP of 23.92, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone is sourced from PubChem (CID 58240025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).