1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene

C256H144S8Se4 — CID 162098129

About 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene

1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene (PubChem CID 162098129) has the molecular formula C256H144S8Se4 and a molecular weight of 3792.34 g/mol. Its IUPAC name is 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene.

Molecular Properties

• Compound Name: 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene
• PubChem CID: 162098129
• Molecular Formula: C256H144S8Se4
• Molecular Weight: 3792.34 g/mol
• Exact Mass: 3792.57
• IUPAC Name: 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene
• SMILES: c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7cccc8c7sc7ccccc78)c7ccccc67)c45)c4ccccc34)cccc12.c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8c(c7)sc7ccccc78)c7ccccc67)c45)c4ccccc34)ccc12.c1ccc2c(c1)sc1ccc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)c45)c4ccccc34)cc12.c1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7cccc8sc9ccccc9c78)c7ccccc67)c45)c4ccccc34)c12
• InChI: InChI=1S/4C64H36S2Se/c1-5-21-47-43(17-1)59(37-31-33-41-39-15-9-11-28-54(39)65-56(41)35-37)44-18-2-6-22-48(44)61(47)51-25-14-30-58-63(51)53-27-13-26-52(64(53)67-58)62-49-23-7-3-19-45(49)60(46-20-4-8-24-50(46)62)38-32-34-42-40-16-10-12-29-55(40)66-57(42)36-38;1-5-21-45-41(17-1)59(37-31-33-56-52(35-37)39-15-9-11-28-54(39)65-56)42-18-2-6-22-46(42)61(45)49-25-14-30-58-63(49)51-27-13-26-50(64(51)67-58)62-47-23-7-3-19-43(47)60(44-20-4-8-24-48(44)62)38-32-34-57-53(36-38)40-16-10-12-29-55(40)66-57;1-3-21-41-39(19-1)57(40-20-2-4-22-42(40)58(41)50-30-13-27-47-37-17-9-11-34-54(37)65-62(47)50)49-29-16-36-56-61(49)53-33-15-32-52(64(53)67-56)60-45-25-7-5-23-43(45)59(44-24-6-8-26-46(44)60)51-31-14-28-48-38-18-10-12-35-55(38)66-63(48)51;1-3-19-39-37(17-1)57(47-27-14-34-54-61(47)45-25-9-11-32-52(45)65-54)38-18-2-4-20-40(38)59(39)49-29-16-36-56-63(49)51-31-13-30-50(64(51)67-56)60-43-23-7-5-21-41(43)58(42-22-6-8-24-44(42)60)48-28-15-35-55-62(48)46-26-10-12-33-53(46)66-55/h4*1-36H
• InChIKey: ZENHFNNMEGIBIO-UHFFFAOYSA-N
• XLogP: 76.27
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3792.34
LogP ≤ 5	76.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene?

The IUPAC name of 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene (CID 162098129) is 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene.

What is the SMILES notation for 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene?

The canonical SMILES for 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene is c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7cccc8c7sc7ccccc78)c7ccccc67)c45)c4ccccc34)cccc12.c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8c(c7)sc7ccccc78)c7ccccc67)c45)c4ccccc34)ccc12.c1ccc2c(c1)sc1ccc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccccc67)c45)c4ccccc34)cc12.c1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7cccc8sc9ccccc9c78)c7ccccc67)c45)c4ccccc34)c12.

What is the InChIKey of 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene?

The InChIKey is ZENHFNNMEGIBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C64H36S2Se/c1-5-21-47-43(17-1)59(37-31-33-41-39-15-9-11-28-54(39)65-56(41)35-37)44-18-2-6-22-48(44)61(47)51-25-14-30-58-63(51)53-27-13-26-52(64(53)67-58)62-49-23-7-3-19-45(49)60(46-20-4-8-24-50(46)62)38-32-34-42-40-16-10-12-29-55(40)66-57(42)36-38;1-5-21-45-41(17-1)59(37-31-33-56-52(35-37)39-15-9-11-28-54(39)65-56)42-18-2-6-22-46(42)61(45)49-25-14-30-58-63(49)51-27-13-26-50(64(51)67-58)62-47-23-7-3-19-43(47)60(44-20-4-8-24-48(44)62)38-32-34-57-53(36-38)40-16-10-12-29-55(40)66-57;1-3-21-41-39(19-1)57(40-20-2-4-22-42(40)58(41)50-30-13-27-47-37-17-9-11-34-54(37)65-62(47)50)49-29-16-36-56-61(49)53-33-15-32-52(64(53)67-56)60-45-25-7-5-23-43(45)59(44-24-6-8-26-46(44)60)51-31-14-28-48-38-18-10-12-35-55(38)66-63(48)51;1-3-19-39-37(17-1)57(47-27-14-34-54-61(47)45-25-9-11-32-52(45)65-54)38-18-2-4-20-40(38)59(39)49-29-16-36-56-63(49)51-31-13-30-50(64(51)67-56)60-43-23-7-5-21-41(43)58(42-22-6-8-24-44(42)60)48-28-15-35-55-62(48)46-26-10-12-33-53(46)66-55/h4*1-36H.

What are the key properties of 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene?

1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene has a molecular weight of 3792.34 g/mol, XLogP of 76.27, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 162098129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).