3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene

C41H26O2S — CID 177298345

IUPAC3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)s4)ccc32)cc1
InChIInChI=1S/C41H26O2S/c1-3-11-29(12-4-1)41(30-13-5-2-6-14-30)33-16-8-10-18-37(33)43-38-26-28(19-21-34(38)41)40-24-23-39(44-40)27-20-22-36-32(25-27)31-15-7-9-17-35(31)42-36/h1-26H
InChIKeyNLWICNFVHWEXOT-UHFFFAOYSA-N
MW582.72 g/mol
LogP11.47
Rot. Bonds4

About 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene

3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene (PubChem CID 177298345) has the molecular formula C41H26O2S and a molecular weight of 582.72 g/mol. Its IUPAC name is 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene
PubChem CID177298345
Molecular FormulaC41H26O2S
Molecular Weight582.72 g/mol
Exact Mass582.17
IUPAC Name3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)s4)ccc32)cc1
InChIInChI=1S/C41H26O2S/c1-3-11-29(12-4-1)41(30-13-5-2-6-14-30)33-16-8-10-18-37(33)43-38-26-28(19-21-34(38)41)40-24-23-39(44-40)27-20-22-36-32(25-27)31-15-7-9-17-35(31)42-36/h1-26H
InChIKeyNLWICNFVHWEXOT-UHFFFAOYSA-N
XLogP11.47
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.72
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
3-(5-dibenzofuran-4-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298250
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline
CID 118698577
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177297955
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
CID 177298590
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177299030

Frequently Asked Questions

What is the IUPAC name of 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene?
The IUPAC name of 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene (CID 177298345) is 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene?
The canonical SMILES for 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)s4)ccc32)cc1.
What is the InChIKey of 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene?
The InChIKey is NLWICNFVHWEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26O2S/c1-3-11-29(12-4-1)41(30-13-5-2-6-14-30)33-16-8-10-18-37(33)43-38-26-28(19-21-34(38)41)40-24-23-39(44-40)27-20-22-36-32(25-27)31-15-7-9-17-35(31)42-36/h1-26H.
What are the key properties of 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene?
3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene has a molecular weight of 582.72 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene is sourced from PubChem (CID 177298345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).