5-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 158690853

About 5-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 158690853) has the molecular formula C208H120S8 and a molecular weight of 2875.78 g/mol. Its IUPAC name is 5-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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: 158690853
• Molecular Formula: C208H120S8
• Molecular Weight: 2875.78 g/mol
• Exact Mass: 2872.72
• IUPAC Name: 5-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6c(ccc7c6sc6ccc8ccccc8c67)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6c(ccc7sc8c9ccccc9ccc8c76)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6cc7sc8ccc9ccccc9c8c7cc6c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6ccc7sc8c9ccccc9ccc8c7c6c5c4)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/4C52H30S2/c1-2-13-32(14-3-1)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)42-25-24-34(36-16-6-7-17-37(36)42)33-23-28-46-45(30-33)43-26-27-44-50-35-15-5-4-12-31(35)22-29-47(50)54-52(44)51(43)53-46;1-2-13-32(14-3-1)50-38-18-8-10-20-40(38)51(41-21-11-9-19-39(41)50)42-25-24-34(36-16-6-7-17-37(36)42)33-23-26-46-43(28-33)44-29-45-49(30-48(44)53-46)54-47-27-22-31-12-4-5-15-35(31)52(45)47;1-2-13-32(14-3-1)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)42-26-25-34(36-16-6-7-17-37(36)42)33-23-28-46-45(30-33)43-27-29-47-50(52(43)53-46)44-24-22-31-12-4-5-15-35(31)51(44)54-47;1-2-13-32(14-3-1)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)42-26-25-34(36-16-6-7-17-37(36)42)33-23-27-45-44(30-33)51-46(53-45)28-29-47-50(51)43-24-22-31-12-4-5-15-35(31)52(43)54-47/h4*1-30H
• InChIKey: IGIFARFQWALQCB-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 158690853) is 5-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6c(ccc7c6sc6ccc8ccccc8c67)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6c(ccc7sc8c9ccccc9ccc8c76)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6cc7sc8ccc9ccccc9c8c7cc6c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6ccc7sc8c9ccccc9ccc8c7c6c5c4)c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 5-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 IGIFARFQWALQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C52H30S2/c1-2-13-32(14-3-1)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)42-25-24-34(36-16-6-7-17-37(36)42)33-23-28-46-45(30-33)43-26-27-44-50-35-15-5-4-12-31(35)22-29-47(50)54-52(44)51(43)53-46;1-2-13-32(14-3-1)50-38-18-8-10-20-40(38)51(41-21-11-9-19-39(41)50)42-25-24-34(36-16-6-7-17-37(36)42)33-23-26-46-43(28-33)44-29-45-49(30-48(44)53-46)54-47-27-22-31-12-4-5-15-35(31)52(45)47;1-2-13-32(14-3-1)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)42-26-25-34(36-16-6-7-17-37(36)42)33-23-28-46-45(30-33)43-27-29-47-50(52(43)53-46)44-24-22-31-12-4-5-15-35(31)51(44)54-47;1-2-13-32(14-3-1)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)42-26-25-34(36-16-6-7-17-37(36)42)33-23-27-45-44(30-33)51-46(53-45)28-29-47-50(51)43-24-22-31-12-4-5-15-35(31)52(43)54-47/h4*1-30H.

What are the key properties of 5-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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-[4-(10-phenylanthracen-9-yl)naphthalen-1-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;19-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;20-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 158690853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).