[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone

C38H28O4 — CID 59847042

IUPAC[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C38H28O4/c1-25-7-11-27(12-8-25)37(39)29-15-19-31(20-16-29)41-35-23-24-36(34-6-4-3-5-33(34)35)42-32-21-17-30(18-22-32)38(40)28-13-9-26(2)10-14-28/h3-24H,1-2H3
InChIKeyVXMPGFJIGQCUIG-UHFFFAOYSA-N
MW548.64 g/mol
LogP9.50
Rot. Bonds8

About [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone

[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone (PubChem CID 59847042) has the molecular formula C38H28O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
PubChem CID59847042
Molecular FormulaC38H28O4
Molecular Weight548.64 g/mol
Exact Mass548.20
IUPAC Name[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C38H28O4/c1-25-7-11-27(12-8-25)37(39)29-15-19-31(20-16-29)41-35-23-24-36(34-6-4-3-5-33(34)35)42-32-21-17-30(18-22-32)38(40)28-13-9-26(2)10-14-28/h3-24H,1-2H3
InChIKeyVXMPGFJIGQCUIG-UHFFFAOYSA-N
XLogP9.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone (CID 59847042) is [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Oc3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone?
The InChIKey is VXMPGFJIGQCUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O4/c1-25-7-11-27(12-8-25)37(39)29-15-19-31(20-16-29)41-35-23-24-36(34-6-4-3-5-33(34)35)42-32-21-17-30(18-22-32)38(40)28-13-9-26(2)10-14-28/h3-24H,1-2H3.
What are the key properties of [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone?
[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone has a molecular weight of 548.64 g/mol, XLogP of 9.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 59847042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).