[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone

C52H38O4 — CID 59847031

IUPAC[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H38O4/c1-35-13-17-39(18-14-35)51(53)41-21-27-45(28-22-41)55-49-31-25-43(33-47(49)37-9-5-3-6-10-37)44-26-32-50(48(34-44)38-11-7-4-8-12-38)56-46-29-23-42(24-30-46)52(54)40-19-15-36(2)16-20-40/h3-34H,1-2H3
InChIKeyBTQLGBYULRLIEK-UHFFFAOYSA-N
MW726.87 g/mol
LogP13.35
Rot. Bonds11

About [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone

[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 59847031) has the molecular formula C52H38O4 and a molecular weight of 726.87 g/mol. Its IUPAC name is [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
PubChem CID59847031
Molecular FormulaC52H38O4
Molecular Weight726.87 g/mol
Exact Mass726.28
IUPAC Name[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H38O4/c1-35-13-17-39(18-14-35)51(53)41-21-27-45(28-22-41)55-49-31-25-43(33-47(49)37-9-5-3-6-10-37)44-26-32-50(48(34-44)38-11-7-4-8-12-38)56-46-29-23-42(24-30-46)52(54)40-19-15-36(2)16-20-40/h3-34H,1-2H3
InChIKeyBTQLGBYULRLIEK-UHFFFAOYSA-N
XLogP13.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.87
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59847042
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58846906
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
CID 101011694
[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid
CID 158257887
4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol
CID 143612086
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
[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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone (CID 59847031) is [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone?
The InChIKey is BTQLGBYULRLIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38O4/c1-35-13-17-39(18-14-35)51(53)41-21-27-45(28-22-41)55-49-31-25-43(33-47(49)37-9-5-3-6-10-37)44-26-32-50(48(34-44)38-11-7-4-8-12-38)56-46-29-23-42(24-30-46)52(54)40-19-15-36(2)16-20-40/h3-34H,1-2H3.
What are the key properties of [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone?
[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 726.87 g/mol, XLogP of 13.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 59847031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).