6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran

C36H23ClO — CID 170551343

IUPAC6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran
SMILESClc1cccc(-c2cccc(-c3cccc4c3oc3cc(-c5ccccc5)c(-c5ccccc5)cc34)c2)c1
InChIInChI=1S/C36H23ClO/c37-29-17-8-15-27(21-29)26-14-7-16-28(20-26)30-18-9-19-31-34-22-32(24-10-3-1-4-11-24)33(23-35(34)38-36(30)31)25-12-5-2-6-13-25/h1-23H
InChIKeyQQRXUCAYCLCIMD-UHFFFAOYSA-N
MW507.03 g/mol
LogP10.91
Rot. Bonds4

About 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran

6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran (PubChem CID 170551343) has the molecular formula C36H23ClO and a molecular weight of 507.03 g/mol. Its IUPAC name is 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran.

Molecular Properties

Compound Name6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran
PubChem CID170551343
Molecular FormulaC36H23ClO
Molecular Weight507.03 g/mol
Exact Mass506.14
IUPAC Name6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran
SMILESClc1cccc(-c2cccc(-c3cccc4c3oc3cc(-c5ccccc5)c(-c5ccccc5)cc34)c2)c1
InChIInChI=1S/C36H23ClO/c37-29-17-8-15-27(21-29)26-14-7-16-28(20-26)30-18-9-19-31-34-22-32(24-10-3-1-4-11-24)33(23-35(34)38-36(30)31)25-12-5-2-6-13-25/h1-23H
InChIKeyQQRXUCAYCLCIMD-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

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Related Compounds

2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 169004283
2-[2-(2-chlorophenyl)phenyl]-6-phenyldibenzofuran
CID 177177846
2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486
2-[6-(3-chlorophenyl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 146820398
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-dibenzofuran-4-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723720
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-(8-chlorodibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146651147
3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 138519402
6-(3-phenylphenyl)dibenzofuran-1-ol
CID 155038866
4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
CID 146440202

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran?
The IUPAC name of 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran (CID 170551343) is 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran.
What is the SMILES notation for 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran?
The canonical SMILES for 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran is Clc1cccc(-c2cccc(-c3cccc4c3oc3cc(-c5ccccc5)c(-c5ccccc5)cc34)c2)c1.
What is the InChIKey of 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran?
The InChIKey is QQRXUCAYCLCIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23ClO/c37-29-17-8-15-27(21-29)26-14-7-16-28(20-26)30-18-9-19-31-34-22-32(24-10-3-1-4-11-24)33(23-35(34)38-36(30)31)25-12-5-2-6-13-25/h1-23H.
What are the key properties of 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran?
6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran 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 6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran is sourced from PubChem (CID 170551343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).