4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran

C36H23ClO — CID 167484483

IUPAC4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran
SMILESClc1cc(-c2ccccc2)cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1-c1ccccc1
InChIInChI=1S/C36H23ClO/c37-33-23-28(24-10-3-1-4-11-24)22-32(35(33)27-12-5-2-6-13-27)26-20-18-25(19-21-26)29-15-9-16-31-30-14-7-8-17-34(30)38-36(29)31/h1-23H
InChIKeyBIUFSOQVVKROER-UHFFFAOYSA-N
MW507.03 g/mol
LogP10.91
Rot. Bonds4

About 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran

4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran (PubChem CID 167484483) has the molecular formula C36H23ClO and a molecular weight of 507.03 g/mol. Its IUPAC name is 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran
PubChem CID167484483
Molecular FormulaC36H23ClO
Molecular Weight507.03 g/mol
Exact Mass506.14
IUPAC Name4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran
SMILESClc1cc(-c2ccccc2)cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1-c1ccccc1
InChIInChI=1S/C36H23ClO/c37-33-23-28(24-10-3-1-4-11-24)22-32(35(33)27-12-5-2-6-13-27)26-20-18-25(19-21-26)29-15-9-16-31-30-14-7-8-17-34(30)38-36(29)31/h1-23H
InChIKeyBIUFSOQVVKROER-UHFFFAOYSA-N
XLogP10.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.03
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran 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

4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349534
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran
CID 139479644
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016
4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079215
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine
CID 167348960

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran?
The IUPAC name of 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran (CID 167484483) is 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran is Clc1cc(-c2ccccc2)cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1-c1ccccc1.
What is the InChIKey of 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran?
The InChIKey is BIUFSOQVVKROER-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23ClO/c37-33-23-28(24-10-3-1-4-11-24)22-32(35(33)27-12-5-2-6-13-27)26-20-18-25(19-21-26)29-15-9-16-31-30-14-7-8-17-34(30)38-36(29)31/h1-23H.
What are the key properties of 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran?
4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran has a molecular weight of 507.03 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 167484483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).