18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene

C208H122S8 — CID 159241624

About 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene

18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene (PubChem CID 159241624) has the molecular formula C208H122S8 and a molecular weight of 2877.80 g/mol. Its IUPAC name is 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene.

Molecular Properties

• Compound Name: 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
• PubChem CID: 159241624
• Molecular Formula: C208H122S8
• Molecular Weight: 2877.80 g/mol
• Exact Mass: 2874.73
• IUPAC Name: 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8c(ccc9c%10ccccc%10sc89)cc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9c(cc8cc7c6c5)sc5ccccc59)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9sc%10ccccc%10c9cc8cc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5sc6cc7c(ccc8sc9ccccc9c87)cc6c5c4)cc3)c3ccccc3cc2c1.c1ccc2ccccc2c1
• InChI: InChI=1S/3C52H30S2.C42H24S2.C10H8/c1-2-12-36-32(10-1)11-9-18-38(36)51-41-16-5-3-14-39(41)50(40-15-4-6-17-42(40)51)33-22-20-31(21-23-33)34-25-27-48-45(28-34)46-29-35-24-26-43-37-13-7-8-19-47(37)54-52(43)44(35)30-49(46)53-48;1-2-12-37-32(10-1)11-9-18-39(37)52-42-16-5-3-14-40(42)51(41-15-4-6-17-43(41)52)33-22-20-31(21-23-33)34-24-25-48-45(26-34)46-28-36-29-49-44(27-35(36)30-50(46)54-48)38-13-7-8-19-47(38)53-49;1-2-12-37-32(10-1)11-9-18-39(37)52-42-16-5-3-14-40(42)51(41-15-4-6-17-43(41)52)33-22-20-31(21-23-33)34-24-25-48-45(26-34)46-28-35-27-44-38-13-7-8-19-47(38)53-49(44)29-36(35)30-50(46)54-48;1-3-9-31-28(7-1)21-29-8-2-4-10-32(29)41(31)26-15-13-25(14-16-26)27-17-19-38-35(22-27)36-23-30-18-20-39-42(34(30)24-40(36)44-38)33-11-5-6-12-37(33)43-39;1-2-6-10-8-4-3-7-9(10)5-1/h3*1-30H;1-24H;1-8H
• InChIKey: KUEBYBQHSLPHKK-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-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene?

The IUPAC name of 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene (CID 159241624) is 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene.

What is the SMILES notation for 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene?

The canonical SMILES for 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8c(ccc9c%10ccccc%10sc89)cc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9c(cc8cc7c6c5)sc5ccccc59)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9sc%10ccccc%10c9cc8cc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5sc6cc7c(ccc8sc9ccccc9c87)cc6c5c4)cc3)c3ccccc3cc2c1.c1ccc2ccccc2c1.

What is the InChIKey of 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene?

The InChIKey is KUEBYBQHSLPHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H30S2.C42H24S2.C10H8/c1-2-12-36-32(10-1)11-9-18-38(36)51-41-16-5-3-14-39(41)50(40-15-4-6-17-42(40)51)33-22-20-31(21-23-33)34-25-27-48-45(28-34)46-29-35-24-26-43-37-13-7-8-19-47(37)54-52(43)44(35)30-49(46)53-48;1-2-12-37-32(10-1)11-9-18-39(37)52-42-16-5-3-14-40(42)51(41-15-4-6-17-43(41)52)33-22-20-31(21-23-33)34-24-25-48-45(26-34)46-28-36-29-49-44(27-35(36)30-50(46)54-48)38-13-7-8-19-47(38)53-49;1-2-12-37-32(10-1)11-9-18-39(37)52-42-16-5-3-14-40(42)51(41-15-4-6-17-43(41)52)33-22-20-31(21-23-33)34-24-25-48-45(26-34)46-28-35-27-44-38-13-7-8-19-47(38)53-49(44)29-36(35)30-50(46)54-48;1-3-9-31-28(7-1)21-29-8-2-4-10-32(29)41(31)26-15-13-25(14-16-26)27-17-19-38-35(22-27)36-23-30-18-20-39-42(34(30)24-40(36)44-38)33-11-5-6-12-37(33)43-39;1-2-6-10-8-4-3-7-9(10)5-1/h3*1-30H;1-24H;1-8H.

What are the key properties of 18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene?

18-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene 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-(4-anthracen-9-ylphenyl)-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;naphthalene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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)phenyl]-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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 159241624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).