7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran

C40H22O2S — CID 176745382

IUPAC7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4ccc5oc6c(ccc7ccoc76)c5c4)c4ccccc34)ccc12
InChIInChI=1S/C40H22O2S/c1-3-10-30-28(8-1)37(24-15-18-34-33(21-24)32-17-13-23-19-20-41-39(23)40(32)42-34)29-9-2-4-11-31(29)38(30)25-14-16-27-26-7-5-6-12-35(26)43-36(27)22-25/h1-22H
InChIKeySMZBHQPMOXZFLW-UHFFFAOYSA-N
MW566.68 g/mol
LogP12.34
Rot. Bonds2

About 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran

7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran (PubChem CID 176745382) has the molecular formula C40H22O2S and a molecular weight of 566.68 g/mol. Its IUPAC name is 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran.

Molecular Properties

Compound Name7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
PubChem CID176745382
Molecular FormulaC40H22O2S
Molecular Weight566.68 g/mol
Exact Mass566.13
IUPAC Name7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4ccc5oc6c(ccc7ccoc76)c5c4)c4ccccc34)ccc12
InChIInChI=1S/C40H22O2S/c1-3-10-30-28(8-1)37(24-15-18-34-33(21-24)32-17-13-23-19-20-41-39(23)40(32)42-34)29-9-2-4-11-31(29)38(30)25-14-16-27-26-7-5-6-12-35(26)43-36(27)22-25/h1-22H
InChIKeySMZBHQPMOXZFLW-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'}

Analyze 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

19-(10-dibenzothiophen-2-ylanthracen-9-yl)-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130190330
3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744622
7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176743329
19-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 155312879
17-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 122426435
10-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176743671
8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176742954
2-(10-naphtho[2,3-b][1]benzothiol-3-ylanthracen-9-yl)dibenzofuran
CID 118503667
9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176745922
8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743961
3-(10-dibenzothiophen-2-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176746012
7-(10-dibenzothiophen-2-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,23-dioxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 163515214

Frequently Asked Questions

What is the IUPAC name of 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran?
The IUPAC name of 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran (CID 176745382) is 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran.
What is the SMILES notation for 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran?
The canonical SMILES for 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran is c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4ccc5oc6c(ccc7ccoc76)c5c4)c4ccccc34)ccc12.
What is the InChIKey of 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran?
The InChIKey is SMZBHQPMOXZFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O2S/c1-3-10-30-28(8-1)37(24-15-18-34-33(21-24)32-17-13-23-19-20-41-39(23)40(32)42-34)29-9-2-4-11-31(29)38(30)25-14-16-27-26-7-5-6-12-35(26)43-36(27)22-25/h1-22H.
What are the key properties of 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran?
7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][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 7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran is sourced from PubChem (CID 176745382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).