[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone

C51H32Cl2O4 — CID 58769608

IUPAC[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone
SMILESO=C(c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)c6cccc(Cl)c6)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C51H32Cl2O4/c52-39-9-5-7-35(31-39)49(54)33-15-23-41(24-16-33)56-43-27-19-37(20-28-43)51(47-13-3-1-11-45(47)46-12-2-4-14-48(46)51)38-21-29-44(30-22-38)57-42-25-17-34(18-26-42)50(55)36-8-6-10-40(53)32-36/h1-32H
InChIKeySMNKDDOCPJWUHU-UHFFFAOYSA-N
MW779.72 g/mol
LogP13.40
Rot. Bonds10

About [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone

[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone (PubChem CID 58769608) has the molecular formula C51H32Cl2O4 and a molecular weight of 779.72 g/mol. Its IUPAC name is [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone
PubChem CID58769608
Molecular FormulaC51H32Cl2O4
Molecular Weight779.72 g/mol
Exact Mass778.17
IUPAC Name[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone
SMILESO=C(c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)c6cccc(Cl)c6)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C51H32Cl2O4/c52-39-9-5-7-35(31-39)49(54)33-15-23-41(24-16-33)56-43-27-19-37(20-28-43)51(47-13-3-1-11-45(47)46-12-2-4-14-48(46)51)38-21-29-44(30-22-38)57-42-25-17-34(18-26-42)50(55)36-8-6-10-40(53)32-36/h1-32H
InChIKeySMNKDDOCPJWUHU-UHFFFAOYSA-N
XLogP13.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.72
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone (CID 58769608) is [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone is O=C(c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)c6cccc(Cl)c6)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone?
The InChIKey is SMNKDDOCPJWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32Cl2O4/c52-39-9-5-7-35(31-39)49(54)33-15-23-41(24-16-33)56-43-27-19-37(20-28-43)51(47-13-3-1-11-45(47)46-12-2-4-14-48(46)51)38-21-29-44(30-22-38)57-42-25-17-34(18-26-42)50(55)36-8-6-10-40(53)32-36/h1-32H.
What are the key properties of [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone?
[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone has a molecular weight of 779.72 g/mol, XLogP of 13.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 58769608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).