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

C46H26O2S — CID 176743287

IUPAC7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc(-c2coc3c2ccc2c4cc(-c5c6ccccc6c(-c6cccc7sc8ccccc8c67)c6ccccc56)ccc4oc23)cc1
InChIInChI=1S/C46H26O2S/c1-2-11-27(12-3-1)38-26-47-45-34(38)23-22-33-37-25-28(21-24-39(37)48-46(33)45)42-29-13-4-6-15-31(29)43(32-16-7-5-14-30(32)42)36-18-10-20-41-44(36)35-17-8-9-19-40(35)49-41/h1-26H
InChIKeyVDLVEFGKFZOUAE-UHFFFAOYSA-N
MW642.78 g/mol
LogP14.01
Rot. Bonds3

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

7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran (PubChem CID 176743287) has the molecular formula C46H26O2S and a molecular weight of 642.78 g/mol. Its IUPAC name is 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran.

Molecular Properties

Compound Name7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
PubChem CID176743287
Molecular FormulaC46H26O2S
Molecular Weight642.78 g/mol
Exact Mass642.17
IUPAC Name7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc(-c2coc3c2ccc2c4cc(-c5c6ccccc6c(-c6cccc7sc8ccccc8c67)c6ccccc56)ccc4oc23)cc1
InChIInChI=1S/C46H26O2S/c1-2-11-27(12-3-1)38-26-47-45-34(38)23-22-33-37-25-28(21-24-39(37)48-46(33)45)42-29-13-4-6-15-31(29)43(32-16-7-5-14-30(32)42)36-18-10-20-41-44(36)35-17-8-9-19-40(35)49-41/h1-26H
InChIKeyVDLVEFGKFZOUAE-UHFFFAOYSA-N
XLogP14.01
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.78
LogP ≤ 514.01
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-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran with MolForge

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Related Compounds

10-(10-dibenzothiophen-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176744203
9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176743237
3-(10-dibenzothiophen-2-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176746012
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
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
3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176743165
10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176746040
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]carbazole
CID 176744389
8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743961
2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 162050752
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176744343
7-(10-dibenzothiophen-2-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 153314398

Frequently Asked Questions

What is the IUPAC name of 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The IUPAC name of 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran (CID 176743287) is 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran.
What is the SMILES notation for 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The canonical SMILES for 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran is c1ccc(-c2coc3c2ccc2c4cc(-c5c6ccccc6c(-c6cccc7sc8ccccc8c67)c6ccccc56)ccc4oc23)cc1.
What is the InChIKey of 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The InChIKey is VDLVEFGKFZOUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O2S/c1-2-11-27(12-3-1)38-26-47-45-34(38)23-22-33-37-25-28(21-24-39(37)48-46(33)45)42-29-13-4-6-15-31(29)43(32-16-7-5-14-30(32)42)36-18-10-20-41-44(36)35-17-8-9-19-40(35)49-41/h1-26H.
What are the key properties of 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran has a molecular weight of 642.78 g/mol, XLogP of 14.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran is sourced from PubChem (CID 176743287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).