5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene

C168H96O3S3 — CID 160705801

About 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene

5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene (PubChem CID 160705801) has the molecular formula C168H96O3S3 and a molecular weight of 2258.81 g/mol. Its IUPAC name is 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
• PubChem CID: 160705801
• Molecular Formula: C168H96O3S3
• Molecular Weight: 2258.81 g/mol
• Exact Mass: 2256.65
• IUPAC Name: 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7oc8cc9c(cc8c7c6)sc6c7ccccc7ccc96)ccc5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8c(ccc9oc%10ccc%11ccccc%11c%10c98)c7c6)ccc5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8ccc9c(oc%10ccc%11ccccc%11c%109)c8c7c6)ccc5c4)c4ccccc34)cccc2c1
• InChI: InChI=1S/3C56H32OS/c1-3-13-40-33(10-1)12-9-19-42(40)53-45-17-7-5-15-43(45)52(44-16-6-8-18-46(44)53)39-23-22-35-30-36(20-21-37(35)31-39)38-25-29-51-48(32-38)47-26-28-50-55(56(47)58-51)54-41-14-4-2-11-34(41)24-27-49(54)57-50;1-3-13-40-33(10-1)12-9-19-42(40)53-45-17-7-5-15-43(45)52(44-16-6-8-18-46(44)53)39-23-22-35-30-36(20-21-37(35)31-39)38-25-28-50-48(32-38)55-51(58-50)29-26-47-54-41-14-4-2-11-34(41)24-27-49(54)57-56(47)55;1-3-13-40-33(10-1)12-9-19-42(40)55-45-17-7-5-15-43(45)54(44-16-6-8-18-46(44)55)39-23-22-35-28-36(20-21-37(35)29-39)38-25-27-51-48(30-38)49-32-53-50(31-52(49)57-51)47-26-24-34-11-2-4-14-41(34)56(47)58-53/h3*1-32H
• InChIKey: RRFCIAQZFHWCJH-UHFFFAOYSA-N
• XLogP: 50.16
• TPSA: 39.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2258.81
LogP ≤ 5	50.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene?

The IUPAC name of 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene (CID 160705801) is 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene.

What is the SMILES notation for 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene?

The canonical SMILES for 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene is c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7oc8cc9c(cc8c7c6)sc6c7ccccc7ccc96)ccc5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8c(ccc9oc%10ccc%11ccccc%11c%10c98)c7c6)ccc5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8ccc9c(oc%10ccc%11ccccc%11c%109)c8c7c6)ccc5c4)c4ccccc34)cccc2c1.

What is the InChIKey of 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene?

The InChIKey is RRFCIAQZFHWCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H32OS/c1-3-13-40-33(10-1)12-9-19-42(40)53-45-17-7-5-15-43(45)52(44-16-6-8-18-46(44)53)39-23-22-35-30-36(20-21-37(35)31-39)38-25-29-51-48(32-38)47-26-28-50-55(56(47)58-51)54-41-14-4-2-11-34(41)24-27-49(54)57-50;1-3-13-40-33(10-1)12-9-19-42(40)53-45-17-7-5-15-43(45)52(44-16-6-8-18-46(44)53)39-23-22-35-30-36(20-21-37(35)31-39)38-25-28-50-48(32-38)55-51(58-50)29-26-47-54-41-14-4-2-11-34(41)24-27-49(54)57-56(47)55;1-3-13-40-33(10-1)12-9-19-42(40)55-45-17-7-5-15-43(45)54(44-16-6-8-18-46(44)55)39-23-22-35-28-36(20-21-37(35)29-39)38-25-27-51-48(30-38)49-32-53-50(31-52(49)57-51)47-26-24-34-11-2-4-14-41(34)56(47)58-53/h3*1-32H.

What are the key properties of 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene?

5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene has a molecular weight of 2258.81 g/mol, XLogP of 50.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene;19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene is sourced from PubChem (CID 160705801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).