1,4-bis(2-phenoxyphenyl)benzene

C30H22O2 — CID 57271203

IUPAC1,4-bis(2-phenoxyphenyl)benzene
SMILESc1ccc(Oc2ccccc2-c2ccc(-c3ccccc3Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H22O2/c1-3-11-25(12-4-1)31-29-17-9-7-15-27(29)23-19-21-24(22-20-23)28-16-8-10-18-30(28)32-26-13-5-2-6-14-26/h1-22H
InChIKeyCRXOTHKSEQWPFR-UHFFFAOYSA-N
MW414.50 g/mol
LogP8.61
Rot. Bonds6

About 1,4-bis(2-phenoxyphenyl)benzene

1,4-bis(2-phenoxyphenyl)benzene (PubChem CID 57271203) has the molecular formula C30H22O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 1,4-bis(2-phenoxyphenyl)benzene.

Molecular Properties

Compound Name1,4-bis(2-phenoxyphenyl)benzene
PubChem CID57271203
Molecular FormulaC30H22O2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name1,4-bis(2-phenoxyphenyl)benzene
SMILESc1ccc(Oc2ccccc2-c2ccc(-c3ccccc3Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H22O2/c1-3-11-25(12-4-1)31-29-17-9-7-15-27(29)23-19-21-24(22-20-23)28-16-8-10-18-30(28)32-26-13-5-2-6-14-26/h1-22H
InChIKeyCRXOTHKSEQWPFR-UHFFFAOYSA-N
XLogP8.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-bis(2-phenoxyphenyl)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-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
2-(2-phenoxyphenyl)-6-phenylbenzenethiol
CID 19734018
2-methoxy-6-(2-phenoxyphenyl)naphthalene
CID 173353712
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
1,2-bis(4-phenylphenoxy)benzene
CID 23083743
1-phenyl-2-[2-[2-(2-phenylphenyl)phenoxy]phenyl]benzene
CID 67263079
1,3-diphenoxy-2-phenylbenzene
CID 88611434
2-(2-phenoxyphenyl)furan
CID 173223033
2-phenoxy-1-[2-phenoxy-3-(2-phenylphenyl)phenoxy]-3-(2-phenylphenyl)benzene
CID 172810146
1-isocyanato-3-(2-phenylphenoxy)benzene
CID 139835407
ethane;4-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzoic acid
CID 169108803
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-phenoxyphenyl)benzene?
The IUPAC name of 1,4-bis(2-phenoxyphenyl)benzene (CID 57271203) is 1,4-bis(2-phenoxyphenyl)benzene.
What is the SMILES notation for 1,4-bis(2-phenoxyphenyl)benzene?
The canonical SMILES for 1,4-bis(2-phenoxyphenyl)benzene is c1ccc(Oc2ccccc2-c2ccc(-c3ccccc3Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-bis(2-phenoxyphenyl)benzene?
The InChIKey is CRXOTHKSEQWPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O2/c1-3-11-25(12-4-1)31-29-17-9-7-15-27(29)23-19-21-24(22-20-23)28-16-8-10-18-30(28)32-26-13-5-2-6-14-26/h1-22H.
What are the key properties of 1,4-bis(2-phenoxyphenyl)benzene?
1,4-bis(2-phenoxyphenyl)benzene has a molecular weight of 414.50 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-phenoxyphenyl)benzene is sourced from PubChem (CID 57271203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).