9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol

C34H25ClO2 — CID 142752896

IUPAC9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol
SMILESCC1(C)c2ccccc2C(O)(c2cc(Cl)ccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc21
InChIInChI=1S/C34H25ClO2/c1-33(2)26-10-4-6-12-28(26)34(36,29-13-7-5-11-27(29)33)30-20-22(35)16-18-23(30)21-15-17-25-24-9-3-8-14-31(24)37-32(25)19-21/h3-20,36H,1-2H3
InChIKeyNJMWLIRQBFYNAF-UHFFFAOYSA-N
MW501.03 g/mol
LogP8.83
Rot. Bonds2

About 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol

9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol (PubChem CID 142752896) has the molecular formula C34H25ClO2 and a molecular weight of 501.03 g/mol. Its IUPAC name is 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol.

Molecular Properties

Compound Name9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol
PubChem CID142752896
Molecular FormulaC34H25ClO2
Molecular Weight501.03 g/mol
Exact Mass500.15
IUPAC Name9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol
SMILESCC1(C)c2ccccc2C(O)(c2cc(Cl)ccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc21
InChIInChI=1S/C34H25ClO2/c1-33(2)26-10-4-6-12-28(26)34(36,29-13-7-5-11-27(29)33)30-20-22(35)16-18-23(30)21-15-17-25-24-9-3-8-14-31(24)37-32(25)19-21/h3-20,36H,1-2H3
InChIKeyNJMWLIRQBFYNAF-UHFFFAOYSA-N
XLogP8.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11-bromo-14-(2-dibenzofuran-3-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463554
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine
CID 151052453
3-(2-chlorophenyl)dibenzofuran
CID 138667405
3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran
CID 169040050
3-(7-chlorodibenzofuran-1-yl)-9,9-dimethylxanthene
CID 165382152
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
CID 156735737
4-dibenzofuran-3-yl-6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenylpyrimidine
CID 146495521

Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol?
The IUPAC name of 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol (CID 142752896) is 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol.
What is the SMILES notation for 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol?
The canonical SMILES for 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol is CC1(C)c2ccccc2C(O)(c2cc(Cl)ccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc21.
What is the InChIKey of 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol?
The InChIKey is NJMWLIRQBFYNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClO2/c1-33(2)26-10-4-6-12-28(26)34(36,29-13-7-5-11-27(29)33)30-20-22(35)16-18-23(30)21-15-17-25-24-9-3-8-14-31(24)37-32(25)19-21/h3-20,36H,1-2H3.
What are the key properties of 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol?
9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol has a molecular weight of 501.03 g/mol, XLogP of 8.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol is sourced from PubChem (CID 142752896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).