(2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone

C43H28F8O4 — CID 20747717

IUPAC(2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone
SMILESCc1ccc(C(C)(C)c2ccc(Oc3c(F)c(F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(F)c(F)c(C)c(F)c6F)cc5)cc4)c(F)c3F)cc2)cc1
InChIInChI=1S/C43H28F8O4/c1-21-5-11-25(12-6-21)43(3,4)26-13-19-29(20-14-26)55-42-38(50)36(48)31(37(49)39(42)51)41(53)24-9-17-28(18-10-24)54-27-15-7-23(8-16-27)40(52)30-34(46)32(44)22(2)33(45)35(30)47/h5-20H,1-4H3
InChIKeyDBQLCMWZNLDZHO-UHFFFAOYSA-N
MW760.68 g/mol
LogP11.79
Rot. Bonds10

About (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone

(2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone (PubChem CID 20747717) has the molecular formula C43H28F8O4 and a molecular weight of 760.68 g/mol. Its IUPAC name is (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone.

Molecular Properties

Compound Name(2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone
PubChem CID20747717
Molecular FormulaC43H28F8O4
Molecular Weight760.68 g/mol
Exact Mass760.19
IUPAC Name(2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone
SMILESCc1ccc(C(C)(C)c2ccc(Oc3c(F)c(F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(F)c(F)c(C)c(F)c6F)cc5)cc4)c(F)c3F)cc2)cc1
InChIInChI=1S/C43H28F8O4/c1-21-5-11-25(12-6-21)43(3,4)26-13-19-29(20-14-26)55-42-38(50)36(48)31(37(49)39(42)51)41(53)24-9-17-28(18-10-24)54-27-15-7-23(8-16-27)40(52)30-34(46)32(44)22(2)33(45)35(30)47/h5-20H,1-4H3
InChIKeyDBQLCMWZNLDZHO-UHFFFAOYSA-N
XLogP11.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.68
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone?
The IUPAC name of (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone (CID 20747717) is (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone.
What is the SMILES notation for (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone?
The canonical SMILES for (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone is Cc1ccc(C(C)(C)c2ccc(Oc3c(F)c(F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(F)c(F)c(C)c(F)c6F)cc5)cc4)c(F)c3F)cc2)cc1.
What is the InChIKey of (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone?
The InChIKey is DBQLCMWZNLDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F8O4/c1-21-5-11-25(12-6-21)43(3,4)26-13-19-29(20-14-26)55-42-38(50)36(48)31(37(49)39(42)51)41(53)24-9-17-28(18-10-24)54-27-15-7-23(8-16-27)40(52)30-34(46)32(44)22(2)33(45)35(30)47/h5-20H,1-4H3.
What are the key properties of (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone?
(2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone has a molecular weight of 760.68 g/mol, XLogP of 11.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone is sourced from PubChem (CID 20747717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).