[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone

C59H36Cl2O7 — CID 59755419

IUPAC[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc3ccc(Oc4ccc(C(=O)c5ccc(Oc6cccc7c(Oc8ccc(C(=O)c9ccc(Cl)cc9)cc8)cccc67)cc5)cc4)cc3c2)cc1
InChIInChI=1S/C59H36Cl2O7/c60-45-21-7-38(8-22-45)57(62)40-13-25-47(26-14-40)65-51-33-11-37-12-34-52(36-44(37)35-51)66-48-27-15-41(16-28-48)59(64)43-19-31-50(32-20-43)68-56-6-2-3-53-54(56)4-1-5-55(53)67-49-29-17-42(18-30-49)58(63)39-9-23-46(61)24-10-39/h1-36H
InChIKeyCPYPBJIMYZGNQU-UHFFFAOYSA-N
MW927.84 g/mol
LogP16.16
Rot. Bonds14

About [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone

[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone (PubChem CID 59755419) has the molecular formula C59H36Cl2O7 and a molecular weight of 927.84 g/mol. Its IUPAC name is [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone
PubChem CID59755419
Molecular FormulaC59H36Cl2O7
Molecular Weight927.84 g/mol
Exact Mass926.18
IUPAC Name[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc3ccc(Oc4ccc(C(=O)c5ccc(Oc6cccc7c(Oc8ccc(C(=O)c9ccc(Cl)cc9)cc8)cccc67)cc5)cc4)cc3c2)cc1
InChIInChI=1S/C59H36Cl2O7/c60-45-21-7-38(8-22-45)57(62)40-13-25-47(26-14-40)65-51-33-11-37-12-34-52(36-44(37)35-51)66-48-27-15-41(16-28-48)59(64)43-19-31-50(32-20-43)68-56-6-2-3-53-54(56)4-1-5-55(53)67-49-29-17-42(18-30-49)58(63)39-9-23-46(61)24-10-39/h1-36H
InChIKeyCPYPBJIMYZGNQU-UHFFFAOYSA-N
XLogP16.16
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.84
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone with MolForge

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Related Compounds

[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59755388
1,5-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2,6-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2,7-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 161302751
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid
CID 157171420
[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
CID 101215966
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 91388813
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59847042
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone?
The IUPAC name of [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone (CID 59755419) is [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone.
What is the SMILES notation for [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone?
The canonical SMILES for [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc3ccc(Oc4ccc(C(=O)c5ccc(Oc6cccc7c(Oc8ccc(C(=O)c9ccc(Cl)cc9)cc8)cccc67)cc5)cc4)cc3c2)cc1.
What is the InChIKey of [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone?
The InChIKey is CPYPBJIMYZGNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36Cl2O7/c60-45-21-7-38(8-22-45)57(62)40-13-25-47(26-14-40)65-51-33-11-37-12-34-52(36-44(37)35-51)66-48-27-15-41(16-28-48)59(64)43-19-31-50(32-20-43)68-56-6-2-3-53-54(56)4-1-5-55(53)67-49-29-17-42(18-30-49)58(63)39-9-23-46(61)24-10-39/h1-36H.
What are the key properties of [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone?
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone has a molecular weight of 927.84 g/mol, XLogP of 16.16, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 59755419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).