[4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone

C48H34O7 — CID 20617808

IUPAC[4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H34O7/c1-31-3-5-32(6-4-31)45(49)33-7-9-34(10-8-33)46(50)36-13-23-41(24-14-36)54-43-27-17-38(18-28-43)48(52)39-19-29-44(30-20-39)55-42-25-15-37(16-26-42)47(51)35-11-21-40(53-2)22-12-35/h3-30H,1-2H3
InChIKeyUZRHHVCKEPNIQJ-UHFFFAOYSA-N
MW722.79 g/mol
LogP10.51
Rot. Bonds13

About [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone

[4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 20617808) has the molecular formula C48H34O7 and a molecular weight of 722.79 g/mol. Its IUPAC name is [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone
PubChem CID20617808
Molecular FormulaC48H34O7
Molecular Weight722.79 g/mol
Exact Mass722.23
IUPAC Name[4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H34O7/c1-31-3-5-32(6-4-31)45(49)33-7-9-34(10-8-33)46(50)36-13-23-41(24-14-36)54-43-27-17-38(18-28-43)48(52)39-19-29-44(30-20-39)55-42-25-15-37(16-26-42)47(51)35-11-21-40(53-2)22-12-35/h3-30H,1-2H3
InChIKeyUZRHHVCKEPNIQJ-UHFFFAOYSA-N
XLogP10.51
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.79
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone (CID 20617808) is [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is UZRHHVCKEPNIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34O7/c1-31-3-5-32(6-4-31)45(49)33-7-9-34(10-8-33)46(50)36-13-23-41(24-14-36)54-43-27-17-38(18-28-43)48(52)39-19-29-44(30-20-39)55-42-25-15-37(16-26-42)47(51)35-11-21-40(53-2)22-12-35/h3-30H,1-2H3.
What are the key properties of [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone?
[4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 722.79 g/mol, XLogP of 10.51, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 20617808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).