11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene

C189H114S6 — CID 165032667

About 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene

11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 165032667) has the molecular formula C189H114S6 and a molecular weight of 2577.39 g/mol. Its IUPAC name is 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene
• PubChem CID: 165032667
• Molecular Formula: C189H114S6
• Molecular Weight: 2577.39 g/mol
• Exact Mass: 2574.72
• IUPAC Name: 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene
• SMILES: Cc1ccc(-c2c3ccccc3c(-c3cc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5sc6ccccc6c5c4c4c3sc3ccccc34)c3ccccc23)cc1.Cc1cccc(-c2c3ccccc3c(-c3cc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5sc6ccccc6c5c4c4c3sc3ccccc34)c3ccccc23)c1.Cc1ccccc1-c1c2ccccc2c(-c2cc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4sc5ccccc5c4c3c3c2sc2ccccc23)c2ccccc12
• InChI: InChI=1S/3C63H38S2/c1-37-18-17-21-39(34-37)56-43-24-7-11-28-47(43)59(48-29-12-8-25-44(48)56)52-36-40-35-51(58-45-26-9-5-22-41(45)55(38-19-3-2-4-20-38)42-23-6-10-27-46(42)58)62-60(49-30-13-15-32-53(49)64-62)57(40)61-50-31-14-16-33-54(50)65-63(52)61;1-37-31-33-39(34-32-37)56-43-21-7-11-25-47(43)59(48-26-12-8-22-44(48)56)52-36-40-35-51(58-45-23-9-5-19-41(45)55(38-17-3-2-4-18-38)42-20-6-10-24-46(42)58)62-60(49-27-13-15-29-53(49)64-62)57(40)61-50-28-14-16-30-54(50)65-63(52)61;1-37-19-5-6-22-40(37)57-45-27-11-13-29-47(45)59(48-30-14-12-28-46(48)57)52-36-39-35-51(58-43-25-9-7-23-41(43)55(38-20-3-2-4-21-38)42-24-8-10-26-44(42)58)62-60(49-31-15-17-33-53(49)64-62)56(39)61-50-32-16-18-34-54(50)65-63(52)61/h3*2-36H,1H3
• InChIKey: MXGALKJHNBTMHG-UHFFFAOYSA-N
• XLogP: 57.49
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2577.39
LogP ≤ 5	57.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The IUPAC name of 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 165032667) is 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The canonical SMILES for 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene is Cc1ccc(-c2c3ccccc3c(-c3cc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5sc6ccccc6c5c4c4c3sc3ccccc34)c3ccccc23)cc1.Cc1cccc(-c2c3ccccc3c(-c3cc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5sc6ccccc6c5c4c4c3sc3ccccc34)c3ccccc23)c1.Cc1ccccc1-c1c2ccccc2c(-c2cc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4sc5ccccc5c4c3c3c2sc2ccccc23)c2ccccc12.

What is the InChIKey of 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The InChIKey is MXGALKJHNBTMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C63H38S2/c1-37-18-17-21-39(34-37)56-43-24-7-11-28-47(43)59(48-29-12-8-25-44(48)56)52-36-40-35-51(58-45-26-9-5-22-41(45)55(38-19-3-2-4-20-38)42-23-6-10-27-46(42)58)62-60(49-30-13-15-32-53(49)64-62)57(40)61-50-31-14-16-33-54(50)65-63(52)61;1-37-31-33-39(34-32-37)56-43-21-7-11-25-47(43)59(48-26-12-8-22-44(48)56)52-36-40-35-51(58-45-23-9-5-19-41(45)55(38-17-3-2-4-18-38)42-20-6-10-24-46(42)58)62-60(49-27-13-15-29-53(49)64-62)57(40)61-50-28-14-16-30-54(50)65-63(52)61;1-37-19-5-6-22-40(37)57-45-27-11-13-29-47(45)59(48-30-14-12-28-46(48)57)52-36-39-35-51(58-43-25-9-7-23-41(43)55(38-20-3-2-4-21-38)42-24-8-10-26-44(42)58)62-60(49-31-15-17-33-53(49)64-62)56(39)61-50-32-16-18-34-54(50)65-63(52)61/h3*2-36H,1H3.

What are the key properties of 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene?

11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 2577.39 g/mol, XLogP of 57.49, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[10-(2-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(3-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene;11-[10-(4-methylphenyl)anthracen-9-yl]-15-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(24),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 165032667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).