18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene

C208H122S8 — CID 158974587

About 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene

18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene (PubChem CID 158974587) has the molecular formula C208H122S8 and a molecular weight of 2877.80 g/mol. Its IUPAC name is 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene.

Molecular Properties

• Compound Name: 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene
• PubChem CID: 158974587
• Molecular Formula: C208H122S8
• Molecular Weight: 2877.80 g/mol
• Exact Mass: 2874.73
• IUPAC Name: 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6cc7sc8ccccc8c7cc6cc5c4c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4sc5cc6cc7c(cc6cc5c4c3)sc3ccccc37)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4sc5cc6ccc7sc8ccccc8c7c6cc5c4c3)c3ccccc23)c1.c1ccc(-c2ccc3ccccc3c2)cc1.c1ccc2c(-c3ccc4sc5cc6c(ccc7sc8ccccc8c76)cc5c4c3)c3ccccc3cc2c1
• InChI: InChI=1S/3C52H30S2.C36H20S2.C16H12/c1-2-15-37-31(11-1)12-10-21-38(37)32-13-9-14-33(25-32)51-40-17-3-5-19-42(40)52(43-20-6-4-18-41(43)51)34-23-24-48-45(26-34)46-28-36-29-49-44(27-35(36)30-50(46)54-48)39-16-7-8-22-47(39)53-49;1-2-15-36-31(11-1)12-10-21-37(36)32-13-9-14-34(27-32)50-38-16-3-5-18-40(38)51(41-19-6-4-17-39(41)50)35-24-25-47-44(28-35)45-30-43-33(29-49(45)54-47)23-26-48-52(43)42-20-7-8-22-46(42)53-48;1-2-11-32-24-34(21-20-31(32)10-1)33-12-9-13-35(25-33)51-40-15-3-5-17-42(40)52(43-18-6-4-16-41(43)51)36-22-23-48-45(26-36)46-28-37-27-44-39-14-7-8-19-47(39)53-49(44)29-38(37)30-50(46)54-48;1-3-9-25-21(7-1)17-22-8-2-4-10-26(22)35(25)24-14-15-32-29(19-24)30-18-23-13-16-33-36(28(23)20-34(30)38-32)27-11-5-6-12-31(27)37-33;1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h3*1-30H;1-20H;1-12H
• InChIKey: JOFOXWQZRQTTDS-UHFFFAOYSA-N
• XLogP: 64.16
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2877.80
LogP ≤ 5	64.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene?

The IUPAC name of 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene (CID 158974587) is 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene.

What is the SMILES notation for 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene?

The canonical SMILES for 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6cc7sc8ccccc8c7cc6cc5c4c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4sc5cc6cc7c(cc6cc5c4c3)sc3ccccc37)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4sc5cc6ccc7sc8ccccc8c7c6cc5c4c3)c3ccccc23)c1.c1ccc(-c2ccc3ccccc3c2)cc1.c1ccc2c(-c3ccc4sc5cc6c(ccc7sc8ccccc8c76)cc5c4c3)c3ccccc3cc2c1.

What is the InChIKey of 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene?

The InChIKey is JOFOXWQZRQTTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H30S2.C36H20S2.C16H12/c1-2-15-37-31(11-1)12-10-21-38(37)32-13-9-14-33(25-32)51-40-17-3-5-19-42(40)52(43-20-6-4-18-41(43)51)34-23-24-48-45(26-34)46-28-36-29-49-44(27-35(36)30-50(46)54-48)39-16-7-8-22-47(39)53-49;1-2-15-36-31(11-1)12-10-21-37(36)32-13-9-14-34(27-32)50-38-16-3-5-18-40(38)51(41-19-6-4-17-39(41)50)35-24-25-47-44(28-35)45-30-43-33(29-49(45)54-47)23-26-48-52(43)42-20-7-8-22-46(42)53-48;1-2-11-32-24-34(21-20-31(32)10-1)33-12-9-13-35(25-33)51-40-15-3-5-17-42(40)52(43-18-6-4-16-41(43)51)36-22-23-48-45(26-36)46-28-37-27-44-39-14-7-8-19-47(39)53-49(44)29-38(37)30-50(46)54-48;1-3-9-25-21(7-1)17-22-8-2-4-10-26(22)35(25)24-14-15-32-29(19-24)30-18-23-13-16-33-36(28(23)20-34(30)38-32)27-11-5-6-12-31(27)37-33;1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h3*1-30H;1-20H;1-12H.

What are the key properties of 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene?

18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene has a molecular weight of 2877.80 g/mol, XLogP of 64.16, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18-anthracen-9-yl-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;2-phenylnaphthalene is sourced from PubChem (CID 158974587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).