6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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

C224H128O4S4 — CID 163607893

About 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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

6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 163607893) has the molecular formula C224H128O4S4 and a molecular weight of 3011.75 g/mol. Its IUPAC name is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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: 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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: 163607893
• Molecular Formula: C224H128O4S4
• Molecular Weight: 3011.75 g/mol
• Exact Mass: 3008.87
• IUPAC Name: 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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: c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8cc9sc%10ccccc%10c9cc8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9c(cc8cc7c6c5)oc5ccccc59)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9c%10ccccc%10oc9c8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9oc%10ccccc%10c9c8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1
• InChI: InChI=1S/4C56H32OS/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)34-24-27-53-49(28-34)50-30-35-31-52-48(29-36(35)32-54(50)58-53)41-17-9-10-23-51(41)57-52;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)34-24-27-51-48(28-34)49-29-35-30-50-41-17-9-10-23-53(41)58-54(50)32-36(35)31-52(49)57-51;1-2-14-36-33(12-1)13-11-22-41(36)54-42-18-5-7-20-44(42)55(45-21-8-6-19-43(45)54)46-28-27-37(38-15-3-4-16-39(38)46)34-25-29-52-49(30-34)50-32-48-35(31-53(50)58-52)24-26-47-40-17-9-10-23-51(40)57-56(47)48;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)34-25-29-52-48(30-34)49-32-47-35(31-53(49)58-52)24-28-51-56(47)46-21-9-10-23-50(46)57-51/h4*1-32H
• InChIKey: HDJDEVUPFJVDAY-UHFFFAOYSA-N
• XLogP: 66.88
• TPSA: 52.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3011.75
LogP ≤ 5	66.88
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 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 163607893) is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8cc9sc%10ccccc%10c9cc8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8cc9c(cc8cc7c6c5)oc5ccccc59)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9c%10ccccc%10oc9c8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9oc%10ccccc%10c9c8cc7c6c5)c5ccccc45)c4ccccc34)cccc2c1.

What is the InChIKey of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 HDJDEVUPFJVDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C56H32OS/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)34-24-27-53-49(28-34)50-30-35-31-52-48(29-36(35)32-54(50)58-53)41-17-9-10-23-51(41)57-52;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)34-24-27-51-48(28-34)49-29-35-30-50-41-17-9-10-23-53(41)58-54(50)32-36(35)31-52(49)57-51;1-2-14-36-33(12-1)13-11-22-41(36)54-42-18-5-7-20-44(42)55(45-21-8-6-19-43(45)54)46-28-27-37(38-15-3-4-16-39(38)46)34-25-29-52-49(30-34)50-32-48-35(31-53(50)58-52)24-26-47-40-17-9-10-23-51(40)57-56(47)48;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)34-25-29-52-48(30-34)49-32-47-35(31-53(49)58-52)24-28-51-56(47)46-21-9-10-23-50(46)57-51/h4*1-32H.

What are the key properties of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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?

6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 3011.75 g/mol, XLogP of 66.88, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[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;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[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 163607893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).