1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene

C54H39FO3 — CID 160906545

IUPAC1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
SMILESFc1cccc(Oc2ccccc2)c1.c1ccc(Oc2cccc(Oc3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C42H30O2.C12H9FO/c1-3-12-31(13-4-1)32-14-7-15-33(26-32)34-16-8-17-35(27-34)36-18-9-19-37(28-36)38-20-10-23-40(29-38)44-42-25-11-24-41(30-42)43-39-21-5-2-6-22-39;13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-30H;1-9H
InChIKeySQFHRXGKAPPQHA-UHFFFAOYSA-N
MW754.90 g/mol
LogP15.56
Rot. Bonds10

About 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene

1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene (PubChem CID 160906545) has the molecular formula C54H39FO3 and a molecular weight of 754.90 g/mol. Its IUPAC name is 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
PubChem CID160906545
Molecular FormulaC54H39FO3
Molecular Weight754.90 g/mol
Exact Mass754.29
IUPAC Name1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
SMILESFc1cccc(Oc2ccccc2)c1.c1ccc(Oc2cccc(Oc3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C42H30O2.C12H9FO/c1-3-12-31(13-4-1)32-14-7-15-33(26-32)34-16-8-17-35(27-34)36-18-9-19-37(28-36)38-20-10-23-40(29-38)44-42-25-11-24-41(30-42)43-39-21-5-2-6-22-39;13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-30H;1-9H
InChIKeySQFHRXGKAPPQHA-UHFFFAOYSA-N
XLogP15.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.90
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene with MolForge

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

Launch Full Analysis

Related Compounds

1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide
CID 10340262
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1,3-difluoro-5-phenoxybenzene
CID 13455928
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene
CID 57186867
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene?
The IUPAC name of 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene (CID 160906545) is 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene.
What is the SMILES notation for 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene?
The canonical SMILES for 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene is Fc1cccc(Oc2ccccc2)c1.c1ccc(Oc2cccc(Oc3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)c2)cc1.
What is the InChIKey of 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene?
The InChIKey is SQFHRXGKAPPQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O2.C12H9FO/c1-3-12-31(13-4-1)32-14-7-15-33(26-32)34-16-8-17-35(27-34)36-18-9-19-37(28-36)38-20-10-23-40(29-38)44-42-25-11-24-41(30-42)43-39-21-5-2-6-22-39;13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-30H;1-9H.
What are the key properties of 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene?
1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene has a molecular weight of 754.90 g/mol, XLogP of 15.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene is sourced from PubChem (CID 160906545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).