[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone

C45H30O6 — CID 11571089

IUPAC[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C45H30O6/c46-43(31-16-22-40(23-17-31)49-37-10-4-1-5-11-37)34-28-35(44(47)32-18-24-41(25-19-32)50-38-12-6-2-7-13-38)30-36(29-34)45(48)33-20-26-42(27-21-33)51-39-14-8-3-9-15-39/h1-30H
InChIKeyRIMYCWLKFUKRDC-UHFFFAOYSA-N
MW666.73 g/mol
LogP10.76
Rot. Bonds12

About [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone

[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone (PubChem CID 11571089) has the molecular formula C45H30O6 and a molecular weight of 666.73 g/mol. Its IUPAC name is [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
PubChem CID11571089
Molecular FormulaC45H30O6
Molecular Weight666.73 g/mol
Exact Mass666.20
IUPAC Name[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C45H30O6/c46-43(31-16-22-40(23-17-31)49-37-10-4-1-5-11-37)34-28-35(44(47)32-18-24-41(25-19-32)50-38-12-6-2-7-13-38)30-36(29-34)45(48)33-20-26-42(27-21-33)51-39-14-8-3-9-15-39/h1-30H
InChIKeyRIMYCWLKFUKRDC-UHFFFAOYSA-N
XLogP10.76
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.73
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
CID 102447265
1-[3-[2-oxo-2-(4-phenoxyphenyl)acetyl]phenyl]-2-(4-phenoxyphenyl)ethane-1,2-dione
CID 20508401
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone
CID 58240025
4-phenoxybenzoic acid;hydrochloride
CID 70385625
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone (CID 11571089) is [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The InChIKey is RIMYCWLKFUKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O6/c46-43(31-16-22-40(23-17-31)49-37-10-4-1-5-11-37)34-28-35(44(47)32-18-24-41(25-19-32)50-38-12-6-2-7-13-38)30-36(29-34)45(48)33-20-26-42(27-21-33)51-39-14-8-3-9-15-39/h1-30H.
What are the key properties of [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone has a molecular weight of 666.73 g/mol, XLogP of 10.76, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 11571089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).