3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene

C39H28OS — CID 177298182

IUPAC3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccccc3-c3ccccc3-c3cccc4sc5ccccc5c34)ccc21
InChIInChI=1S/C39H28OS/c1-39(2)32-18-8-9-19-34(32)40-35-24-25(22-23-33(35)39)26-12-3-4-13-27(26)28-14-5-6-15-29(28)30-17-11-21-37-38(30)31-16-7-10-20-36(31)41-37/h3-24H,1-2H3
InChIKeyRKHXUEYPDPLGIO-UHFFFAOYSA-N
MW544.72 g/mol
LogP11.49
Rot. Bonds3

About 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene

3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene (PubChem CID 177298182) has the molecular formula C39H28OS and a molecular weight of 544.72 g/mol. Its IUPAC name is 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene.

Molecular Properties

Compound Name3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene
PubChem CID177298182
Molecular FormulaC39H28OS
Molecular Weight544.72 g/mol
Exact Mass544.19
IUPAC Name3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccccc3-c3ccccc3-c3cccc4sc5ccccc5c34)ccc21
InChIInChI=1S/C39H28OS/c1-39(2)32-18-8-9-19-34(32)40-35-24-25(22-23-33(35)39)26-12-3-4-13-27(26)28-14-5-6-15-29(28)30-17-11-21-37-38(30)31-16-7-10-20-36(31)41-37/h3-24H,1-2H3
InChIKeyRKHXUEYPDPLGIO-UHFFFAOYSA-N
XLogP11.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.72
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene
CID 177298575
1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586
1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene
CID 164736739
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177298119
3-(7-chlorodibenzofuran-1-yl)-9,9-dimethylxanthene
CID 165382152
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
CID 156735737

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene?
The IUPAC name of 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene (CID 177298182) is 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene.
What is the SMILES notation for 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene?
The canonical SMILES for 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene is CC1(C)c2ccccc2Oc2cc(-c3ccccc3-c3ccccc3-c3cccc4sc5ccccc5c34)ccc21.
What is the InChIKey of 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene?
The InChIKey is RKHXUEYPDPLGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28OS/c1-39(2)32-18-8-9-19-34(32)40-35-24-25(22-23-33(35)39)26-12-3-4-13-27(26)28-14-5-6-15-29(28)30-17-11-21-37-38(30)31-16-7-10-20-36(31)41-37/h3-24H,1-2H3.
What are the key properties of 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene?
3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene has a molecular weight of 544.72 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene is sourced from PubChem (CID 177298182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).