7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C144H84S6 — CID 161401033

About 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 161401033) has the molecular formula C144H84S6 and a molecular weight of 2006.66 g/mol. Its IUPAC name is 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• PubChem CID: 161401033
• Molecular Formula: C144H84S6
• Molecular Weight: 2006.66 g/mol
• Exact Mass: 2004.49
• IUPAC Name: 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5cc6c(cc5c4)sc4c6ccc5c6ccccc6sc54)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5cc6c(cc5c4)sc4c6ccc5sc6ccccc6c54)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5cc6c(cc5c4)sc4cc5sc7ccccc7c5cc46)c3)c3ccccc23)cc1
• InChI: InChI=1S/3C48H28S2/c1-2-11-29(12-3-1)47-36-16-4-6-18-38(36)48(39-19-7-5-17-37(39)47)33-14-10-13-30(23-33)31-21-22-32-25-40-42-27-41-35-15-8-9-20-43(35)49-45(41)28-46(42)50-44(40)26-34(32)24-31;1-2-11-29(12-3-1)45-36-16-4-6-18-38(36)46(39-19-7-5-17-37(39)45)33-14-10-13-30(25-33)31-21-22-32-27-42-41-24-23-40-35-15-8-9-20-43(35)49-47(40)48(41)50-44(42)28-34(32)26-31;1-2-11-29(12-3-1)45-35-15-4-6-17-37(35)46(38-18-7-5-16-36(38)45)33-14-10-13-30(25-33)31-21-22-32-27-41-39-23-24-43-47(40-19-8-9-20-42(40)49-43)48(39)50-44(41)28-34(32)26-31/h3*1-28H
• InChIKey: VUFVZLSWDBSXTJ-UHFFFAOYSA-N
• XLogP: 44.65
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2006.66
LogP ≤ 5	44.65
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 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The IUPAC name of 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 161401033) is 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The canonical SMILES for 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5cc6c(cc5c4)sc4c6ccc5c6ccccc6sc54)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5cc6c(cc5c4)sc4c6ccc5sc6ccccc6c54)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5cc6c(cc5c4)sc4cc5sc7ccccc7c5cc46)c3)c3ccccc23)cc1.

What is the InChIKey of 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The InChIKey is VUFVZLSWDBSXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H28S2/c1-2-11-29(12-3-1)47-36-16-4-6-18-38(36)48(39-19-7-5-17-37(39)47)33-14-10-13-30(23-33)31-21-22-32-25-40-42-27-41-35-15-8-9-20-43(35)49-45(41)28-46(42)50-44(40)26-34(32)24-31;1-2-11-29(12-3-1)45-36-16-4-6-18-38(36)46(39-19-7-5-17-37(39)45)33-14-10-13-30(25-33)31-21-22-32-27-42-41-24-23-40-35-15-8-9-20-43(35)49-47(40)48(41)50-44(42)28-34(32)26-31;1-2-11-29(12-3-1)45-35-15-4-6-17-37(35)46(38-18-7-5-16-36(38)45)33-14-10-13-30(25-33)31-21-22-32-27-41-39-23-24-43-47(40-19-8-9-20-42(40)49-43)48(39)50-44(41)28-34(32)26-31/h3*1-28H.

What are the key properties of 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 2006.66 g/mol, XLogP of 44.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 161401033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).