6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran

C200H110O2S8 — CID 163780185

About 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran

6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran (PubChem CID 163780185) has the molecular formula C200H110O2S8 and a molecular weight of 2801.61 g/mol. Its IUPAC name is 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran
• PubChem CID: 163780185
• Molecular Formula: C200H110O2S8
• Molecular Weight: 2801.61 g/mol
• Exact Mass: 2798.63
• IUPAC Name: 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran
• SMILES: c1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)cccc12.c1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)c12.c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)cccc12.c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)ccc12.c1ccc2c(c1)sc1ccc(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)cc12
• InChI: InChI=1S/2C40H22OS.3C40H22S2/c1-3-14-27-25(12-1)37(31-18-8-17-30-24-11-5-6-19-33(24)41-40(30)31)26-13-2-4-15-28(26)38(27)32-22-23-10-7-20-34-36(23)39-29(32)16-9-21-35(39)42-34;1-3-13-26-24(11-1)37(30-17-8-19-33-39(30)29-15-5-6-18-32(29)41-33)25-12-2-4-14-27(25)38(26)31-22-23-10-7-20-34-36(23)40-28(31)16-9-21-35(40)42-34;1-3-14-27-25(12-1)37(31-18-8-17-30-24-11-5-6-19-33(24)42-40(30)31)26-13-2-4-15-28(26)38(27)32-22-23-10-7-20-34-36(23)39-29(32)16-9-21-35(39)41-34;1-3-13-28-26(11-1)37(24-19-20-34-31(21-24)25-10-5-6-16-33(25)41-34)27-12-2-4-14-29(27)39(28)32-22-23-9-7-17-35-38(23)40-30(32)15-8-18-36(40)42-35;1-3-13-29-27(11-1)37(24-19-20-26-25-10-5-6-16-33(25)41-36(26)22-24)28-12-2-4-14-30(28)39(29)32-21-23-9-7-17-34-38(23)40-31(32)15-8-18-35(40)42-34/h5*1-22H
• InChIKey: MNXWIBVSJFRUMC-UHFFFAOYSA-N
• XLogP: 62.33
• TPSA: 26.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2801.61
LogP ≤ 5	62.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran?

The IUPAC name of 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran (CID 163780185) is 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran?

The canonical SMILES for 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran is c1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)cccc12.c1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)c12.c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)cccc12.c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)ccc12.c1ccc2c(c1)sc1ccc(-c3c4ccccc4c(-c4cc5cccc6sc7cccc4c7c56)c4ccccc34)cc12.

What is the InChIKey of 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran?

The InChIKey is MNXWIBVSJFRUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H22OS.3C40H22S2/c1-3-14-27-25(12-1)37(31-18-8-17-30-24-11-5-6-19-33(24)41-40(30)31)26-13-2-4-15-28(26)38(27)32-22-23-10-7-20-34-36(23)39-29(32)16-9-21-35(39)42-34;1-3-13-26-24(11-1)37(30-17-8-19-33-39(30)29-15-5-6-18-32(29)41-33)25-12-2-4-14-27(25)38(26)31-22-23-10-7-20-34-36(23)40-28(31)16-9-21-35(40)42-34;1-3-14-27-25(12-1)37(31-18-8-17-30-24-11-5-6-19-33(24)42-40(30)31)26-13-2-4-15-28(26)38(27)32-22-23-10-7-20-34-36(23)39-29(32)16-9-21-35(39)41-34;1-3-13-28-26(11-1)37(24-19-20-34-31(21-24)25-10-5-6-16-33(25)41-34)27-12-2-4-14-29(27)39(28)32-22-23-9-7-17-35-38(23)40-30(32)15-8-18-36(40)42-35;1-3-13-29-27(11-1)37(24-19-20-26-25-10-5-6-16-33(25)41-36(26)22-24)28-12-2-4-14-30(28)39(29)32-21-23-9-7-17-34-38(23)40-31(32)15-8-18-35(40)42-34/h5*1-22H.

What are the key properties of 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran?

6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 2801.61 g/mol, XLogP of 62.33, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(10-dibenzothiophen-2-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-3-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-(10-dibenzothiophen-4-ylanthracen-9-yl)-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;1-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran;4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 163780185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).