18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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

C204H136S8 — CID 159731669

About 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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

18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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 (PubChem CID 159731669) has the molecular formula C204H136S8 and a molecular weight of 2843.87 g/mol. Its IUPAC name is 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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.

Molecular Properties

• Compound Name: 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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
• PubChem CID: 159731669
• Molecular Formula: C204H136S8
• Molecular Weight: 2843.87 g/mol
• Exact Mass: 2840.84
• IUPAC Name: 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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
• SMILES: C/C(=C\C=C1/Cc2cc3cc4c(cc3cc2C1(C)C)sc1ccccc14)c1c2ccccc2c(-c2ccc3c(c2)sc2ccccc23)c2ccccc12.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3ccc4c5ccccc5sc4c3cc21.CC1(C)c2ccc(-c3c4ccccc4cc4ccccc34)cc2-c2cc3ccc4sc5ccccc5c4c3cc21.CC1(C)c2ccc(-c3ccccccc(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3cc4sc5ccccc5c4cc3cc21.c1ccc2c(c1)sc1ccccc12
• InChI: InChI=1S/C51H32S2.C51H36S2.C51H34S2.C39H26S.C12H8S/c1-51(2)43-24-21-30(26-41(43)42-25-29-19-23-39-33-12-8-10-18-46(33)53-50(39)40(29)28-44(42)51)48-35-13-3-5-15-37(35)49(38-16-6-4-14-36(38)48)31-20-22-34-32-11-7-9-17-45(32)52-47(34)27-31;1-30(20-22-35-25-34-24-32-26-43-37-13-9-11-19-46(37)53-48(43)29-33(32)27-44(34)51(35,2)3)49-39-14-4-6-16-41(39)50(42-17-7-5-15-40(42)49)31-21-23-38-36-12-8-10-18-45(36)52-47(38)28-31;1-51(2)45-24-22-31(25-42(45)43-26-34-30-50-44(27-33(34)28-46(43)51)40-18-10-12-20-48(40)53-50)35-13-5-3-4-6-14-36(38-16-8-7-15-37(35)38)32-21-23-41-39-17-9-11-19-47(39)52-49(41)29-32;1-39(2)33-17-15-26(37-27-11-5-3-9-23(27)19-24-10-4-6-12-28(24)37)21-31(33)32-20-25-16-18-36-38(30(25)22-34(32)39)29-13-7-8-14-35(29)40-36;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h3-28H,1-2H3;4-24,26-29H,25H2,1-3H3;3-30H,1-2H3;3-22H,1-2H3;1-8H/b;30-20+,35-22+;4-3-,5-3-,6-4-,13-5+,14-6+,35-13+,36-14+,37-35+,38-36+
• InChIKey: NBHSHBLJTZJESU-WAIZRWRISA-N
• XLogP: 61.97
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2843.87
LogP ≤ 5	61.97
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-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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?

The IUPAC name of 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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 (CID 159731669) is 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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.

What is the SMILES notation for 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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?

The canonical SMILES for 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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 is C/C(=C\C=C1/Cc2cc3cc4c(cc3cc2C1(C)C)sc1ccccc14)c1c2ccccc2c(-c2ccc3c(c2)sc2ccccc23)c2ccccc12.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3ccc4c5ccccc5sc4c3cc21.CC1(C)c2ccc(-c3c4ccccc4cc4ccccc34)cc2-c2cc3ccc4sc5ccccc5c4c3cc21.CC1(C)c2ccc(-c3ccccccc(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2-c2cc3cc4sc5ccccc5c4cc3cc21.c1ccc2c(c1)sc1ccccc12.

What is the InChIKey of 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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?

The InChIKey is NBHSHBLJTZJESU-WAIZRWRISA-N. The full InChI is InChI=1S/C51H32S2.C51H36S2.C51H34S2.C39H26S.C12H8S/c1-51(2)43-24-21-30(26-41(43)42-25-29-19-23-39-33-12-8-10-18-46(33)53-50(39)40(29)28-44(42)51)48-35-13-3-5-15-37(35)49(38-16-6-4-14-36(38)48)31-20-22-34-32-11-7-9-17-45(32)52-47(34)27-31;1-30(20-22-35-25-34-24-32-26-43-37-13-9-11-19-46(37)53-48(43)29-33(32)27-44(34)51(35,2)3)49-39-14-4-6-16-41(39)50(42-17-7-5-15-40(42)49)31-21-23-38-36-12-8-10-18-45(36)52-47(38)28-31;1-51(2)45-24-22-31(25-42(45)43-26-34-30-50-44(27-33(34)28-46(43)51)40-18-10-12-20-48(40)53-50)35-13-5-3-4-6-14-36(38-16-8-7-15-37(35)38)32-21-23-41-39-17-9-11-19-47(39)52-49(41)29-32;1-39(2)33-17-15-26(37-27-11-5-3-9-23(27)19-24-10-4-6-12-28(24)37)21-31(33)32-20-25-16-18-36-38(30(25)22-34(32)39)29-13-7-8-14-35(29)40-36;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h3-28H,1-2H3;4-24,26-29H,25H2,1-3H3;3-30H,1-2H3;3-22H,1-2H3;1-8H/b;30-20+,35-22+;4-3-,5-3-,6-4-,13-5+,14-6+,35-13+,36-14+,37-35+,38-36+;;.

What are the key properties of 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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?

18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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 has a molecular weight of 2843.87 g/mol, XLogP of 61.97, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18-anthracen-9-yl-22,22-dimethyl-9-thiahexacyclo[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;dibenzothiophene;(17E)-17-[(E)-3-(10-dibenzothiophen-3-ylanthracen-9-yl)but-2-enylidene]-16,16-dimethyl-10-thiapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;18-(10-dibenzothiophen-3-ylanthracen-9-yl)-22,22-dimethyl-3-thiahexacyclo[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-(5-dibenzothiophen-3-ylbenzo[10]annulen-12-yl)-22,22-dimethyl-10-thiahexacyclo[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 is sourced from PubChem (CID 159731669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).