3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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

C225H132S8 — CID 163796750

About 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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

3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 (PubChem CID 163796750) has the molecular formula C225H132S8 and a molecular weight of 3092.07 g/mol. Its IUPAC name is 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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.

Molecular Properties

• Compound Name: 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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
• PubChem CID: 163796750
• Molecular Formula: C225H132S8
• Molecular Weight: 3092.07 g/mol
• Exact Mass: 3088.81
• IUPAC Name: 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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
• SMILES: Cc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2ccccc12.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9c(cc8cc7c6c5)sc5ccccc59)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9sc%10ccccc%10c9cc8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9sc%10ccccc%10c9c8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(c1)sc1cc3ccc4c5ccccc5sc4c3cc12
• InChI: InChI=1S/3C56H32S2.C35H24.C22H12S2/c1-2-14-37-33(12-1)13-11-22-42(37)55-43-18-5-7-20-45(43)56(46-21-8-6-19-44(46)55)47-26-25-38(39-15-3-4-16-40(39)47)34-24-27-52-49(28-34)50-30-36-31-53-48(29-35(36)32-54(50)58-52)41-17-9-10-23-51(41)57-53;1-2-14-37-33(12-1)13-11-22-42(37)55-43-18-5-7-20-45(43)56(46-21-8-6-19-44(46)55)47-26-25-38(39-15-3-4-16-40(39)47)34-24-27-52-49(28-34)50-30-35-29-48-41-17-9-10-23-51(41)57-53(48)31-36(35)32-54(50)58-52;1-2-14-36-33(12-1)13-11-22-40(36)54-41-17-5-7-19-43(41)55(44-20-8-6-18-42(44)54)45-27-26-37(38-15-3-4-16-39(38)45)34-24-28-51-48(30-34)49-32-47-35(31-53(49)58-51)25-29-52-56(47)46-21-9-10-23-50(46)57-52;1-23-21-22-33(27-15-5-4-13-25(23)27)35-31-18-8-6-16-29(31)34(30-17-7-9-19-32(30)35)28-20-10-12-24-11-2-3-14-26(24)28;1-4-8-20-14(5-1)16-10-9-13-11-21-18(12-17(13)22(16)24-20)15-6-2-3-7-19(15)23-21/h3*1-32H;2-22H,1H3;1-12H
• InChIKey: NBLUDRFVYILYMA-UHFFFAOYSA-N
• XLogP: 69.09
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3092.07
LogP ≤ 5	69.09
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 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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?

The IUPAC name of 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 (CID 163796750) is 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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.

What is the SMILES notation for 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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?

The canonical SMILES for 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 is Cc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2ccccc12.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9c(cc8cc7c6c5)sc5ccccc59)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9sc%10ccccc%10c9cc8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9sc%10ccccc%10c9c8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(c1)sc1cc3ccc4c5ccccc5sc4c3cc12.

What is the InChIKey of 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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?

The InChIKey is NBLUDRFVYILYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H32S2.C35H24.C22H12S2/c1-2-14-37-33(12-1)13-11-22-42(37)55-43-18-5-7-20-45(43)56(46-21-8-6-19-44(46)55)47-26-25-38(39-15-3-4-16-40(39)47)34-24-27-52-49(28-34)50-30-36-31-53-48(29-35(36)32-54(50)58-52)41-17-9-10-23-51(41)57-53;1-2-14-37-33(12-1)13-11-22-42(37)55-43-18-5-7-20-45(43)56(46-21-8-6-19-44(46)55)47-26-25-38(39-15-3-4-16-40(39)47)34-24-27-52-49(28-34)50-30-35-29-48-41-17-9-10-23-51(41)57-53(48)31-36(35)32-54(50)58-52;1-2-14-36-33(12-1)13-11-22-40(36)54-41-17-5-7-19-43(41)55(44-20-8-6-18-42(44)54)45-27-26-37(38-15-3-4-16-39(38)45)34-24-28-51-48(30-34)49-32-47-35(31-53(49)58-51)25-29-52-56(47)46-21-9-10-23-50(46)57-52;1-23-21-22-33(27-15-5-4-13-25(23)27)35-31-18-8-6-16-29(31)34(30-17-7-9-19-32(30)35)28-20-10-12-24-11-2-3-14-26(24)28;1-4-8-20-14(5-1)16-10-9-13-11-21-18(12-17(13)22(16)24-20)15-6-2-3-7-19(15)23-21/h3*1-32H;2-22H,1H3;1-12H.

What are the key properties of 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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?

3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 has a molecular weight of 3092.07 g/mol, XLogP of 69.09, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene;9-(4-methylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 is sourced from PubChem (CID 163796750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).