4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene

C52H57FO4 — CID 57299024

IUPAC4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene
SMILESCCOc1ccc(C(C)(C)CCC(CC(C)(CCCc2cccc(Oc3ccccc3)c2)c2ccc(OCC)cc2)c2ccc(F)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C52H57FO4/c1-6-54-44-28-24-42(25-29-44)51(3,4)35-33-41(40-23-32-49(53)50(37-40)57-47-20-12-9-13-21-47)38-52(5,43-26-30-45(31-27-43)55-7-2)34-15-17-39-16-14-22-48(36-39)56-46-18-10-8-11-19-46/h8-14,16,18-32,36-37,41H,6-7,15,17,33-35,38H2,1-5H3
InChIKeyYHUYYIMGIBAJMT-UHFFFAOYSA-N
MW765.02 g/mol
LogP14.42
Rot. Bonds20

About 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene

4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene (PubChem CID 57299024) has the molecular formula C52H57FO4 and a molecular weight of 765.02 g/mol. Its IUPAC name is 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene.

Molecular Properties

Compound Name4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene
PubChem CID57299024
Molecular FormulaC52H57FO4
Molecular Weight765.02 g/mol
Exact Mass764.42
IUPAC Name4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene
SMILESCCOc1ccc(C(C)(C)CCC(CC(C)(CCCc2cccc(Oc3ccccc3)c2)c2ccc(OCC)cc2)c2ccc(F)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C52H57FO4/c1-6-54-44-28-24-42(25-29-44)51(3,4)35-33-41(40-23-32-49(53)50(37-40)57-47-20-12-9-13-21-47)38-52(5,43-26-30-45(31-27-43)55-7-2)34-15-17-39-16-14-22-48(36-39)56-46-18-10-8-11-19-46/h8-14,16,18-32,36-37,41H,6-7,15,17,33-35,38H2,1-5H3
InChIKeyYHUYYIMGIBAJMT-UHFFFAOYSA-N
XLogP14.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.02
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene 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-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene?
The IUPAC name of 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene (CID 57299024) is 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene.
What is the SMILES notation for 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene?
The canonical SMILES for 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene is CCOc1ccc(C(C)(C)CCC(CC(C)(CCCc2cccc(Oc3ccccc3)c2)c2ccc(OCC)cc2)c2ccc(F)c(Oc3ccccc3)c2)cc1.
What is the InChIKey of 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene?
The InChIKey is YHUYYIMGIBAJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57FO4/c1-6-54-44-28-24-42(25-29-44)51(3,4)35-33-41(40-23-32-49(53)50(37-40)57-47-20-12-9-13-21-47)38-52(5,43-26-30-45(31-27-43)55-7-2)34-15-17-39-16-14-22-48(36-39)56-46-18-10-8-11-19-46/h8-14,16,18-32,36-37,41H,6-7,15,17,33-35,38H2,1-5H3.
What are the key properties of 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene?
4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene has a molecular weight of 765.02 g/mol, XLogP of 14.42, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-bis(4-ethoxyphenyl)-2,7-dimethyl-10-(3-phenoxyphenyl)decan-5-yl]-1-fluoro-2-phenoxybenzene is sourced from PubChem (CID 57299024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).