[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone

C126H96O18 — CID 160674185

IUPAC[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)c2)cc1.COc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)c2)cc1
InChIInChI=1S/2C35H26O5.2C28H22O4/c1-23-3-5-24(6-4-23)33(36)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)26-9-7-25(8-10-26)34(37)27-11-17-30(39-2)18-12-27;1-23-6-8-24(9-7-23)33(36)25-12-18-31(19-13-25)40-32-20-14-27(15-21-32)35(38)29-5-3-4-28(22-29)34(37)26-10-16-30(39-2)17-11-26;1-19-3-13-25(14-4-19)32-26-17-11-23(12-18-26)28(30)21-7-5-20(6-8-21)27(29)22-9-15-24(31-2)16-10-22;1-19-6-12-25(13-7-19)32-26-16-10-21(11-17-26)28(30)23-5-3-4-22(18-23)27(29)20-8-14-24(31-2)15-9-20/h2*3-22H,1-2H3;2*3-18H,1-2H3
InChIKeyRNHYHFGBGNBNKL-UHFFFAOYSA-N
MW1898.14 g/mol
LogP27.49
Rot. Bonds32

About [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone

[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone (PubChem CID 160674185) has the molecular formula C126H96O18 and a molecular weight of 1898.14 g/mol. Its IUPAC name is [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
PubChem CID160674185
Molecular FormulaC126H96O18
Molecular Weight1898.14 g/mol
Exact Mass1896.66
IUPAC Name[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)c2)cc1.COc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)c2)cc1
InChIInChI=1S/2C35H26O5.2C28H22O4/c1-23-3-5-24(6-4-23)33(36)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)26-9-7-25(8-10-26)34(37)27-11-17-30(39-2)18-12-27;1-23-6-8-24(9-7-23)33(36)25-12-18-31(19-13-25)40-32-20-14-27(15-21-32)35(38)29-5-3-4-28(22-29)34(37)26-10-16-30(39-2)17-11-26;1-19-3-13-25(14-4-19)32-26-17-11-23(12-18-26)28(30)21-7-5-20(6-8-21)27(29)22-9-15-24(31-2)16-10-22;1-19-6-12-25(13-7-19)32-26-16-10-21(11-17-26)28(30)23-5-3-4-22(18-23)27(29)20-8-14-24(31-2)15-9-20/h2*3-22H,1-2H3;2*3-18H,1-2H3
InChIKeyRNHYHFGBGNBNKL-UHFFFAOYSA-N
XLogP27.49
TPSA244.54 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001898.14
LogP ≤ 527.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone?
The IUPAC name of [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone (CID 160674185) is [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone.
What is the SMILES notation for [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone?
The canonical SMILES for [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone is COc1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)c2)cc1.COc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)c2)cc1.
What is the InChIKey of [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone?
The InChIKey is RNHYHFGBGNBNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H26O5.2C28H22O4/c1-23-3-5-24(6-4-23)33(36)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)26-9-7-25(8-10-26)34(37)27-11-17-30(39-2)18-12-27;1-23-6-8-24(9-7-23)33(36)25-12-18-31(19-13-25)40-32-20-14-27(15-21-32)35(38)29-5-3-4-28(22-29)34(37)26-10-16-30(39-2)17-11-26;1-19-3-13-25(14-4-19)32-26-17-11-23(12-18-26)28(30)21-7-5-20(6-8-21)27(29)22-9-15-24(31-2)16-10-22;1-19-6-12-25(13-7-19)32-26-16-10-21(11-17-26)28(30)23-5-3-4-22(18-23)27(29)20-8-14-24(31-2)15-9-20/h2*3-22H,1-2H3;2*3-18H,1-2H3.
What are the key properties of [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone?
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone has a molecular weight of 1898.14 g/mol, XLogP of 27.49, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone is sourced from PubChem (CID 160674185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).