[4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone

C45H28F2O4 — CID 58769510

IUPAC[4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(C(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C45H28F2O4/c46-37-21-14-33(15-22-37)43(48)31-10-6-29(7-11-31)36-20-27-41(30-8-12-32(13-9-30)44(49)34-16-23-38(47)24-17-34)42(28-36)45(50)35-18-25-40(26-19-35)51-39-4-2-1-3-5-39/h1-28H
InChIKeyGSDAZWZTXKCUCO-UHFFFAOYSA-N
MW670.71 g/mol
LogP10.78
Rot. Bonds10

About [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone

[4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 58769510) has the molecular formula C45H28F2O4 and a molecular weight of 670.71 g/mol. Its IUPAC name is [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
PubChem CID58769510
Molecular FormulaC45H28F2O4
Molecular Weight670.71 g/mol
Exact Mass670.20
IUPAC Name[4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(C(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C45H28F2O4/c46-37-21-14-33(15-22-37)43(48)31-10-6-29(7-11-31)36-20-27-41(30-8-12-32(13-9-30)44(49)34-16-23-38(47)24-17-34)42(28-36)45(50)35-18-25-40(26-19-35)51-39-4-2-1-3-5-39/h1-28H
InChIKeyGSDAZWZTXKCUCO-UHFFFAOYSA-N
XLogP10.78
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.71
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone (CID 58769510) is [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(C(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1.
What is the InChIKey of [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is GSDAZWZTXKCUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28F2O4/c46-37-21-14-33(15-22-37)43(48)31-10-6-29(7-11-31)36-20-27-41(30-8-12-32(13-9-30)44(49)34-16-23-38(47)24-17-34)42(28-36)45(50)35-18-25-40(26-19-35)51-39-4-2-1-3-5-39/h1-28H.
What are the key properties of [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone?
[4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 670.71 g/mol, XLogP of 10.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-(4-phenoxybenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 58769510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).