8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran

C40H22O2S — CID 176743961

IUPAC8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6ccoc6c45)c4ccccc34)c12
InChIInChI=1S/C40H22O2S/c1-3-10-27-25(8-1)36(24-16-18-29-33(22-24)42-32-19-17-23-20-21-41-40(23)39(29)32)26-9-2-4-11-28(26)37(27)31-13-7-15-35-38(31)30-12-5-6-14-34(30)43-35/h1-22H
InChIKeyVSUPSOQOWTUDHS-UHFFFAOYSA-N
MW566.68 g/mol
LogP12.34
Rot. Bonds2

About 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran

8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176743961) has the molecular formula C40H22O2S and a molecular weight of 566.68 g/mol. Its IUPAC name is 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

Compound Name8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
PubChem CID176743961
Molecular FormulaC40H22O2S
Molecular Weight566.68 g/mol
Exact Mass566.13
IUPAC Name8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6ccoc6c45)c4ccccc34)c12
InChIInChI=1S/C40H22O2S/c1-3-10-27-25(8-1)36(24-16-18-29-33(22-24)42-32-19-17-23-20-21-41-40(23)39(29)32)26-9-2-4-11-28(26)37(27)31-13-7-15-35-38(31)30-12-5-6-14-34(30)43-35/h1-22H
InChIKeyVSUPSOQOWTUDHS-UHFFFAOYSA-N
XLogP12.34
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.68
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176745707
5-(10-dibenzothiophen-1-ylanthracen-9-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314455
9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176745922
5-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176742654
7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176745766
9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176744574
7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176743287
9-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745436
10-(10-dibenzothiophen-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176744203
7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745382
3-(10-naphthalen-1-ylanthracen-9-yl)-7-naphtho[2,1-b][1]benzothiol-5-yldibenzofuran
CID 122426185
6-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176745258

Frequently Asked Questions

What is the IUPAC name of 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The IUPAC name of 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (CID 176743961) is 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.
What is the SMILES notation for 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The canonical SMILES for 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is c1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6ccoc6c45)c4ccccc34)c12.
What is the InChIKey of 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The InChIKey is VSUPSOQOWTUDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O2S/c1-3-10-27-25(8-1)36(24-16-18-29-33(22-24)42-32-19-17-23-20-21-41-40(23)39(29)32)26-9-2-4-11-28(26)37(27)31-13-7-15-35-38(31)30-12-5-6-14-34(30)43-35/h1-22H.
What are the key properties of 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 566.68 g/mol, XLogP of 12.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176743961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).