[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone

C47H34O5 — CID 58846906

IUPAC[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(C)cc5C(=O)c5ccc(Oc6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C47H34O5/c1-31-8-11-34(12-9-31)45(48)36-17-23-41(24-18-36)52-42-25-19-37(20-26-42)46(49)35-15-13-33(14-16-35)43-29-10-32(2)30-44(43)47(50)38-21-27-40(28-22-38)51-39-6-4-3-5-7-39/h3-30H,1-2H3
InChIKeyLCLVEQYLTROXON-UHFFFAOYSA-N
MW678.78 g/mol
LogP11.25
Rot. Bonds11

About [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone

[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 58846906) has the molecular formula C47H34O5 and a molecular weight of 678.78 g/mol. Its IUPAC name is [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone
PubChem CID58846906
Molecular FormulaC47H34O5
Molecular Weight678.78 g/mol
Exact Mass678.24
IUPAC Name[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(C)cc5C(=O)c5ccc(Oc6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C47H34O5/c1-31-8-11-34(12-9-31)45(48)36-17-23-41(24-18-36)52-42-25-19-37(20-26-42)46(49)35-15-13-33(14-16-35)43-29-10-32(2)30-44(43)47(50)38-21-27-40(28-22-38)51-39-6-4-3-5-7-39/h3-30H,1-2H3
InChIKeyLCLVEQYLTROXON-UHFFFAOYSA-N
XLogP11.25
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.78
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
CID 58858848
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 59847031
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone (CID 58846906) is [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(C)cc5C(=O)c5ccc(Oc6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The InChIKey is LCLVEQYLTROXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34O5/c1-31-8-11-34(12-9-31)45(48)36-17-23-41(24-18-36)52-42-25-19-37(20-26-42)46(49)35-15-13-33(14-16-35)43-29-10-32(2)30-44(43)47(50)38-21-27-40(28-22-38)51-39-6-4-3-5-7-39/h3-30H,1-2H3.
What are the key properties of [4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone?
[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 678.78 g/mol, XLogP of 11.25, 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-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 58846906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).