5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

C208H120S8 — CID 157075152

About 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (PubChem CID 157075152) has the molecular formula C208H120S8 and a molecular weight of 2875.78 g/mol. Its IUPAC name is 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.

Molecular Properties

• Compound Name: 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
• PubChem CID: 157075152
• Molecular Formula: C208H120S8
• Molecular Weight: 2875.78 g/mol
• Exact Mass: 2872.72
• IUPAC Name: 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5c(ccc6sc7c8ccccc8ccc7c65)c4c3)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6c(cc5c4c3)sc3c4ccccc4ccc63)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6sc7ccc8ccccc8c7c6cc5c4c3)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5ccc6sc7c8ccccc8ccc7c6c5c4c3)c3ccccc23)c1
• InChI: InChI=1S/4C52H30S2/c1-2-12-33-26-35(21-20-31(33)10-1)34-13-9-14-36(27-34)50-39-16-5-7-18-41(39)51(42-19-8-6-17-40(42)50)37-23-24-46-43(28-37)44-29-45-49(30-48(44)53-46)54-47-25-22-32-11-3-4-15-38(32)52(45)47;1-2-12-33-28-35(21-20-31(33)10-1)34-13-9-14-36(29-34)48-39-16-5-7-18-41(39)49(42-19-8-6-17-40(42)48)37-23-26-46-45(30-37)43-25-27-47-50(52(43)53-46)44-24-22-32-11-3-4-15-38(32)51(44)54-47;1-2-12-33-26-35(21-20-31(33)10-1)34-13-9-14-36(27-34)50-39-16-5-7-18-41(39)51(42-19-8-6-17-40(42)50)37-23-25-47-44(28-37)46-30-49-45(29-48(46)53-47)43-24-22-32-11-3-4-15-38(32)52(43)54-49;1-2-12-33-28-35(21-20-31(33)10-1)34-13-9-14-36(29-34)48-39-16-5-7-18-41(39)49(42-19-8-6-17-40(42)48)37-23-25-45-44(30-37)51-46(53-45)26-27-47-50(51)43-24-22-32-11-3-4-15-38(32)52(43)54-47/h4*1-30H
• InChIKey: ACWRULQRTMMMDH-UHFFFAOYSA-N
• XLogP: 64.14
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2875.78
LogP ≤ 5	64.14
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 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?

The IUPAC name of 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (CID 157075152) is 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.

What is the SMILES notation for 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?

The canonical SMILES for 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5c(ccc6sc7c8ccccc8ccc7c65)c4c3)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6c(cc5c4c3)sc3c4ccccc4ccc63)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6sc7ccc8ccccc8c7c6cc5c4c3)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5ccc6sc7c8ccccc8ccc7c6c5c4c3)c3ccccc23)c1.

What is the InChIKey of 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?

The InChIKey is ACWRULQRTMMMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C52H30S2/c1-2-12-33-26-35(21-20-31(33)10-1)34-13-9-14-36(27-34)50-39-16-5-7-18-41(39)51(42-19-8-6-17-40(42)50)37-23-24-46-43(28-37)44-29-45-49(30-48(44)53-46)54-47-25-22-32-11-3-4-15-38(32)52(45)47;1-2-12-33-28-35(21-20-31(33)10-1)34-13-9-14-36(29-34)48-39-16-5-7-18-41(39)49(42-19-8-6-17-40(42)48)37-23-26-46-45(30-37)43-25-27-47-50(52(43)53-46)44-24-22-32-11-3-4-15-38(32)51(44)54-47;1-2-12-33-26-35(21-20-31(33)10-1)34-13-9-14-36(27-34)50-39-16-5-7-18-41(39)51(42-19-8-6-17-40(42)50)37-23-25-47-44(28-37)46-30-49-45(29-48(46)53-47)43-24-22-32-11-3-4-15-38(32)52(43)54-49;1-2-12-33-28-35(21-20-31(33)10-1)34-13-9-14-36(29-34)48-39-16-5-7-18-41(39)49(42-19-8-6-17-40(42)48)37-23-25-45-44(30-37)51-46(53-45)26-27-47-50(51)43-24-22-32-11-3-4-15-38(32)52(43)54-47/h4*1-30H.

What are the key properties of 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?

5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene has a molecular weight of 2875.78 g/mol, XLogP of 64.14, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;7-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 157075152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).