[4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone

C165H134Cl2O18S — CID 158948432

IUPAC[4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc(-c6ccc(C)cc6C(=O)c6cccc(S(=O)(=O)O)c6)cc5)cc4)cc3)c2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc(Cl)cc5)cc4)cc3)c2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4c(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cccc4c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3cccc4cc(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)ccc34)cc2)cc1
InChIInChI=1S/C52H46O7S.C38H35ClO3.C38H28O4.C37H25ClO4/c1-34-13-30-47(48(31-34)50(54)38-9-7-12-46(32-38)60(55,56)57)35-14-16-36(17-15-35)49(53)37-18-24-44(25-19-37)59-45-28-22-40(23-29-45)52(4,5)42-11-8-10-41(33-42)51(2,3)39-20-26-43(58-6)27-21-39;1-37(2,28-13-21-33(41-5)22-14-28)30-7-6-8-31(25-30)38(3,4)29-15-23-35(24-16-29)42-34-19-11-27(12-20-34)36(40)26-9-17-32(39)18-10-26;1-25-6-10-27(11-7-25)37(39)29-14-18-32(19-15-29)41-34-22-23-35-31(24-34)4-3-5-36(35)42-33-20-16-30(17-21-33)38(40)28-12-8-26(2)9-13-28;1-24-5-7-25(8-6-24)36(39)28-13-19-32(20-14-28)42-35-4-2-3-29-23-33(21-22-34(29)35)41-31-17-11-27(12-18-31)37(40)26-9-15-30(38)16-10-26/h7-33H,1-6H3,(H,55,56,57);6-25H,1-5H3;3-24H,1-2H3;2-23H,1H3
InChIKeyJLCUDMZHXHJMSX-UHFFFAOYSA-N
MW2507.84 g/mol
LogP41.20
Rot. Bonds38

About [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone

[4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone (PubChem CID 158948432) has the molecular formula C165H134Cl2O18S and a molecular weight of 2507.84 g/mol. Its IUPAC name is [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone
PubChem CID158948432
Molecular FormulaC165H134Cl2O18S
Molecular Weight2507.84 g/mol
Exact Mass2504.87
IUPAC Name[4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc(-c6ccc(C)cc6C(=O)c6cccc(S(=O)(=O)O)c6)cc5)cc4)cc3)c2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc(Cl)cc5)cc4)cc3)c2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4c(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cccc4c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3cccc4cc(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)ccc34)cc2)cc1
InChIInChI=1S/C52H46O7S.C38H35ClO3.C38H28O4.C37H25ClO4/c1-34-13-30-47(48(31-34)50(54)38-9-7-12-46(32-38)60(55,56)57)35-14-16-36(17-15-35)49(53)37-18-24-44(25-19-37)59-45-28-22-40(23-29-45)52(4,5)42-11-8-10-41(33-42)51(2,3)39-20-26-43(58-6)27-21-39;1-37(2,28-13-21-33(41-5)22-14-28)30-7-6-8-31(25-30)38(3,4)29-15-23-35(24-16-29)42-34-19-11-27(12-20-34)36(40)26-9-17-32(39)18-10-26;1-25-6-10-27(11-7-25)37(39)29-14-18-32(19-15-29)41-34-22-23-35-31(24-34)4-3-5-36(35)42-33-20-16-30(17-21-33)38(40)28-12-8-26(2)9-13-28;1-24-5-7-25(8-6-24)36(39)28-13-19-32(20-14-28)42-35-4-2-3-29-23-33(21-22-34(29)35)41-31-17-11-27(12-18-31)37(40)26-9-15-30(38)16-10-26/h7-33H,1-6H3,(H,55,56,57);6-25H,1-5H3;3-24H,1-2H3;2-23H,1H3
InChIKeyJLCUDMZHXHJMSX-UHFFFAOYSA-N
XLogP41.20
TPSA247.70 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002507.84
LogP ≤ 541.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone (CID 158948432) is [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone is COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc(-c6ccc(C)cc6C(=O)c6cccc(S(=O)(=O)O)c6)cc5)cc4)cc3)c2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc(Cl)cc5)cc4)cc3)c2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4c(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cccc4c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3cccc4cc(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)ccc34)cc2)cc1.
What is the InChIKey of [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone?
The InChIKey is JLCUDMZHXHJMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46O7S.C38H35ClO3.C38H28O4.C37H25ClO4/c1-34-13-30-47(48(31-34)50(54)38-9-7-12-46(32-38)60(55,56)57)35-14-16-36(17-15-35)49(53)37-18-24-44(25-19-37)59-45-28-22-40(23-29-45)52(4,5)42-11-8-10-41(33-42)51(2,3)39-20-26-43(58-6)27-21-39;1-37(2,28-13-21-33(41-5)22-14-28)30-7-6-8-31(25-30)38(3,4)29-15-23-35(24-16-29)42-34-19-11-27(12-20-34)36(40)26-9-17-32(39)18-10-26;1-25-6-10-27(11-7-25)37(39)29-14-18-32(19-15-29)41-34-22-23-35-31(24-34)4-3-5-36(35)42-33-20-16-30(17-21-33)38(40)28-12-8-26(2)9-13-28;1-24-5-7-25(8-6-24)36(39)28-13-19-32(20-14-28)42-35-4-2-3-29-23-33(21-22-34(29)35)41-31-17-11-27(12-18-31)37(40)26-9-15-30(38)16-10-26/h7-33H,1-6H3,(H,55,56,57);6-25H,1-5H3;3-24H,1-2H3;2-23H,1H3.
What are the key properties of [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone?
[4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone has a molecular weight of 2507.84 g/mol, XLogP of 41.20, 38 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]methanone;3-[2-[4-[4-[4-[2-[3-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-5-methylbenzoyl]benzenesulfonic acid;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 158948432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).