18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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

C204H128O4S4 — CID 160756784

About 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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

18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 160756784) has the molecular formula C204H128O4S4 and a molecular weight of 2771.53 g/mol. Its IUPAC name is 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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: 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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: 160756784
• Molecular Formula: C204H128O4S4
• Molecular Weight: 2771.53 g/mol
• Exact Mass: 2768.87
• IUPAC Name: 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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: CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4c5ccccc5oc34)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4oc5ccccc5c43)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3cc4oc5ccccc5c4cc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2ccc3ccc4c5ccccc5oc4c3c21
• InChI: InChI=1S/4C51H32OS/c1-51(2)42-23-20-30(25-40(42)41-28-39-29(26-43(41)51)21-24-45-50(39)38-16-7-9-17-44(38)52-45)48-34-12-3-5-14-36(34)49(37-15-6-4-13-35(37)48)31-19-22-33-32-11-8-10-18-46(32)53-47(33)27-31;1-51(2)42-26-22-30(27-41(42)39-24-19-29-20-25-40-32-11-7-9-17-43(32)52-50(40)48(29)49(39)51)46-35-13-3-5-15-37(35)47(38-16-6-4-14-36(38)46)31-21-23-34-33-12-8-10-18-44(33)53-45(34)28-31;1-51(2)43-24-21-30(25-41(43)42-28-40-29(26-44(42)51)19-23-39-32-11-7-9-17-45(32)52-50(39)40)48-35-13-3-5-15-37(35)49(38-16-6-4-14-36(38)48)31-20-22-34-33-12-8-10-18-46(33)53-47(34)27-31;1-51(2)43-22-20-29(23-40(43)41-24-32-27-46-42(25-31(32)26-44(41)51)33-11-7-9-17-45(33)52-46)49-36-13-3-5-15-38(36)50(39-16-6-4-14-37(39)49)30-19-21-35-34-12-8-10-18-47(34)53-48(35)28-30/h4*3-28H,1-2H3
• InChIKey: RXNOVIYTUCMDDN-UHFFFAOYSA-N
• XLogP: 60.22
• TPSA: 52.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2771.53
LogP ≤ 5	60.22
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-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 160756784) is 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4c5ccccc5oc34)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3c(ccc4oc5ccccc5c43)cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3cc4oc5ccccc5c4cc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2ccc3ccc4c5ccccc5oc4c3c21.

What is the InChIKey of 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 RXNOVIYTUCMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C51H32OS/c1-51(2)42-23-20-30(25-40(42)41-28-39-29(26-43(41)51)21-24-45-50(39)38-16-7-9-17-44(38)52-45)48-34-12-3-5-14-36(34)49(37-15-6-4-13-35(37)48)31-19-22-33-32-11-8-10-18-46(32)53-47(33)27-31;1-51(2)42-26-22-30(27-41(42)39-24-19-29-20-25-40-32-11-7-9-17-43(32)52-50(40)48(29)49(39)51)46-35-13-3-5-15-37(35)47(38-16-6-4-14-36(38)46)31-21-23-34-33-12-8-10-18-44(33)53-45(34)28-31;1-51(2)43-24-21-30(25-41(43)42-28-40-29(26-44(42)51)19-23-39-32-11-7-9-17-45(32)52-50(39)40)48-35-13-3-5-15-37(35)49(38-16-6-4-14-36(38)48)31-20-22-34-33-12-8-10-18-46(33)53-47(34)27-31;1-51(2)43-22-20-29(23-40(43)41-24-32-27-46-42(25-31(32)26-44(41)51)33-11-7-9-17-45(33)52-46)49-36-13-3-5-15-38(36)50(39-16-6-4-14-37(39)49)30-19-21-35-34-12-8-10-18-47(34)53-48(35)28-30/h4*3-28H,1-2H3.

What are the key properties of 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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?

18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 2771.53 g/mol, XLogP of 60.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;19-(10-dibenzothiophen-3-ylanthracen-9-yl)-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-(10-dibenzothiophen-3-ylanthracen-9-yl)-16,16-dimethyl-9-oxahexacyclo[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 160756784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).