[4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone

C67H66F2O4 — CID 58769574

IUPAC[4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
SMILESCCC(C)CCc1cc(CCC(C)CC)c2cc(Oc3ccc(C(=O)c4cc(-c5ccc(C(=O)c6ccc(F)cc6)cc5)ccc4-c4ccc(C(=O)c5ccc(F)cc5)cc4)cc3CCC(C)CC)ccc2c1
InChIInChI=1S/C67H66F2O4/c1-7-43(4)10-13-46-38-54(14-11-44(5)8-2)62-42-60(35-28-55(62)39-46)73-64-37-30-57(40-56(64)15-12-45(6)9-3)67(72)63-41-53(47-16-20-49(21-17-47)65(70)51-24-31-58(68)32-25-51)29-36-61(63)48-18-22-50(23-19-48)66(71)52-26-33-59(69)34-27-52/h16-45H,7-15H2,1-6H3
InChIKeyXOSWQLQKOOAWPX-UHFFFAOYSA-N
MW973.26 g/mol
LogP17.87
Rot. Bonds22

About [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone

[4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 58769574) has the molecular formula C67H66F2O4 and a molecular weight of 973.26 g/mol. Its IUPAC name is [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
PubChem CID58769574
Molecular FormulaC67H66F2O4
Molecular Weight973.26 g/mol
Exact Mass972.49
IUPAC Name[4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
SMILESCCC(C)CCc1cc(CCC(C)CC)c2cc(Oc3ccc(C(=O)c4cc(-c5ccc(C(=O)c6ccc(F)cc6)cc5)ccc4-c4ccc(C(=O)c5ccc(F)cc5)cc4)cc3CCC(C)CC)ccc2c1
InChIInChI=1S/C67H66F2O4/c1-7-43(4)10-13-46-38-54(14-11-44(5)8-2)62-42-60(35-28-55(62)39-46)73-64-37-30-57(40-56(64)15-12-45(6)9-3)67(72)63-41-53(47-16-20-49(21-17-47)65(70)51-24-31-58(68)32-25-51)29-36-61(63)48-18-22-50(23-19-48)66(71)52-26-33-59(69)34-27-52/h16-45H,7-15H2,1-6H3
InChIKeyXOSWQLQKOOAWPX-UHFFFAOYSA-N
XLogP17.87
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.26
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone (CID 58769574) is [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone is CCC(C)CCc1cc(CCC(C)CC)c2cc(Oc3ccc(C(=O)c4cc(-c5ccc(C(=O)c6ccc(F)cc6)cc5)ccc4-c4ccc(C(=O)c5ccc(F)cc5)cc4)cc3CCC(C)CC)ccc2c1.
What is the InChIKey of [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is XOSWQLQKOOAWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H66F2O4/c1-7-43(4)10-13-46-38-54(14-11-44(5)8-2)62-42-60(35-28-55(62)39-46)73-64-37-30-57(40-56(64)15-12-45(6)9-3)67(72)63-41-53(47-16-20-49(21-17-47)65(70)51-24-31-58(68)32-25-51)29-36-61(63)48-18-22-50(23-19-48)66(71)52-26-33-59(69)34-27-52/h16-45H,7-15H2,1-6H3.
What are the key properties of [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
[4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 973.26 g/mol, XLogP of 17.87, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-[6,8-bis(3-methylpentyl)naphthalen-2-yl]oxy-3-(3-methylpentyl)benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 58769574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).