3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene

C27H19ClO2 — CID 156735737

IUPAC3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc4c3oc3cc(Cl)ccc34)ccc21
InChIInChI=1S/C27H19ClO2/c1-27(2)21-8-3-4-9-23(21)29-25-14-16(10-13-22(25)27)18-6-5-7-20-19-12-11-17(28)15-24(19)30-26(18)20/h3-15H,1-2H3
InChIKeyXBJIAURGCAWSBW-UHFFFAOYSA-N
MW410.90 g/mol
LogP8.34
Rot. Bonds1

About 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene

3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene (PubChem CID 156735737) has the molecular formula C27H19ClO2 and a molecular weight of 410.90 g/mol. Its IUPAC name is 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene.

Molecular Properties

Compound Name3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
PubChem CID156735737
Molecular FormulaC27H19ClO2
Molecular Weight410.90 g/mol
Exact Mass410.11
IUPAC Name3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc4c3oc3cc(Cl)ccc34)ccc21
InChIInChI=1S/C27H19ClO2/c1-27(2)21-8-3-4-9-23(21)29-25-14-16(10-13-22(25)27)18-6-5-7-20-19-12-11-17(28)15-24(19)30-26(18)20/h3-15H,1-2H3
InChIKeyXBJIAURGCAWSBW-UHFFFAOYSA-N
XLogP8.34
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chlorodibenzofuran-1-yl)-9,9-dimethylxanthene
CID 165382152
2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 165382201
7-(9,9-dimethylxanthen-3-yl)naphtho[1,2-b][1]benzofuran
CID 177298074
3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177297955
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 165382217
3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177298182
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
10-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 118553057
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839577
N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine
CID 168806172

Frequently Asked Questions

What is the IUPAC name of 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene?
The IUPAC name of 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene (CID 156735737) is 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene.
What is the SMILES notation for 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene?
The canonical SMILES for 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene is CC1(C)c2ccccc2Oc2cc(-c3cccc4c3oc3cc(Cl)ccc34)ccc21.
What is the InChIKey of 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene?
The InChIKey is XBJIAURGCAWSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClO2/c1-27(2)21-8-3-4-9-23(21)29-25-14-16(10-13-22(25)27)18-6-5-7-20-19-12-11-17(28)15-24(19)30-26(18)20/h3-15H,1-2H3.
What are the key properties of 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene?
3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene has a molecular weight of 410.90 g/mol, XLogP of 8.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene is sourced from PubChem (CID 156735737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).