1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran

C36H21ClO2 — CID 139479644

IUPAC1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran
SMILESClc1ccc(-c2cccc3c2oc2ccccc23)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C36H21ClO2/c37-31-19-18-28(27-16-9-15-26-25-14-7-8-17-32(25)38-34(26)27)36-33(31)30-21-24(22-10-3-1-4-11-22)20-29(35(30)39-36)23-12-5-2-6-13-23/h1-21H
InChIKeyACYOJCQHCJMYSX-UHFFFAOYSA-N
MW521.02 g/mol
LogP11.14
Rot. Bonds3

About 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran

1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran (PubChem CID 139479644) has the molecular formula C36H21ClO2 and a molecular weight of 521.02 g/mol. Its IUPAC name is 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran.

Molecular Properties

Compound Name1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran
PubChem CID139479644
Molecular FormulaC36H21ClO2
Molecular Weight521.02 g/mol
Exact Mass520.12
IUPAC Name1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran
SMILESClc1ccc(-c2cccc3c2oc2ccccc23)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C36H21ClO2/c37-31-19-18-28(27-16-9-15-26-25-14-7-8-17-32(25)38-34(26)27)36-33(31)30-21-24(22-10-3-1-4-11-22)20-29(35(30)39-36)23-12-5-2-6-13-23/h1-21H
InChIKeyACYOJCQHCJMYSX-UHFFFAOYSA-N
XLogP11.14
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340631
4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran
CID 167484483
7-chloro-5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran
CID 167440876
CID 146816800
CID 146816800
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170205377
N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
CID 171433672
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155077744
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 164831971
4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
CID 167454705
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran?
The IUPAC name of 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran (CID 139479644) is 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran.
What is the SMILES notation for 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran?
The canonical SMILES for 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran is Clc1ccc(-c2cccc3c2oc2ccccc23)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.
What is the InChIKey of 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran?
The InChIKey is ACYOJCQHCJMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21ClO2/c37-31-19-18-28(27-16-9-15-26-25-14-7-8-17-32(25)38-34(26)27)36-33(31)30-21-24(22-10-3-1-4-11-22)20-29(35(30)39-36)23-12-5-2-6-13-23/h1-21H.
What are the key properties of 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran?
1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran has a molecular weight of 521.02 g/mol, XLogP of 11.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran is sourced from PubChem (CID 139479644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).