6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

C208H120O4S4 — CID 158723660

About 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (PubChem CID 158723660) has the molecular formula C208H120O4S4 and a molecular weight of 2811.51 g/mol. Its IUPAC name is 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.

Molecular Properties

• Compound Name: 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
• PubChem CID: 158723660
• Molecular Formula: C208H120O4S4
• Molecular Weight: 2811.51 g/mol
• Exact Mass: 2808.81
• IUPAC Name: 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
• SMILES: c1cc(-c2ccc3c(c2)oc2cc4c(cc23)sc2c3ccccc3ccc42)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c(c2)sc2ccc4c(oc5ccc6ccccc6c54)c23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3oc4c(ccc5c6ccc7ccccc7c6sc54)c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3sc4cc5oc6ccc7ccccc7c6c5cc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
• InChI: InChI=1S/4C52H30OS/c1-2-12-33-26-37(21-20-31(33)10-1)51-42-18-7-5-16-40(42)50(41-17-6-8-19-43(41)51)36-14-9-13-34(27-36)35-23-24-39-45-30-49-46(29-48(45)53-47(39)28-35)44-25-22-32-11-3-4-15-38(32)52(44)54-49;1-2-12-33-28-37(21-20-31(33)10-1)49-41-18-7-5-16-39(41)48(40-17-6-8-19-42(40)49)36-14-9-13-34(29-36)35-23-27-47-46(30-35)43-25-26-45-44-24-22-32-11-3-4-15-38(32)51(44)54-52(45)50(43)53-47;1-2-12-33-28-37(21-20-31(33)10-1)49-41-18-7-5-16-39(41)48(40-17-6-8-19-42(40)49)36-14-9-13-34(29-36)35-22-24-43-47(30-35)54-46-27-25-44-50-38-15-4-3-11-32(38)23-26-45(50)53-52(44)51(43)46;1-2-12-33-26-37(21-20-31(33)10-1)51-41-18-7-5-16-39(41)50(40-17-6-8-19-42(40)51)36-14-9-13-34(27-36)35-23-25-48-43(28-35)44-29-45-47(30-49(44)54-48)53-46-24-22-32-11-3-4-15-38(32)52(45)46/h4*1-30H
• InChIKey: IKFNLZHZZUGTDX-UHFFFAOYSA-N
• XLogP: 62.27
• TPSA: 52.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2811.51
LogP ≤ 5	62.27
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-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?

The IUPAC name of 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (CID 158723660) is 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.

What is the SMILES notation for 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?

The canonical SMILES for 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is c1cc(-c2ccc3c(c2)oc2cc4c(cc23)sc2c3ccccc3ccc42)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c(c2)sc2ccc4c(oc5ccc6ccccc6c54)c23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3oc4c(ccc5c6ccc7ccccc7c6sc54)c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3sc4cc5oc6ccc7ccccc7c6c5cc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.

What is the InChIKey of 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?

The InChIKey is IKFNLZHZZUGTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C52H30OS/c1-2-12-33-26-37(21-20-31(33)10-1)51-42-18-7-5-16-40(42)50(41-17-6-8-19-43(41)51)36-14-9-13-34(27-36)35-23-24-39-45-30-49-46(29-48(45)53-47(39)28-35)44-25-22-32-11-3-4-15-38(32)52(44)54-49;1-2-12-33-28-37(21-20-31(33)10-1)49-41-18-7-5-16-39(41)48(40-17-6-8-19-42(40)49)36-14-9-13-34(29-36)35-23-27-47-46(30-35)43-25-26-45-44-24-22-32-11-3-4-15-38(32)51(44)54-52(45)50(43)53-47;1-2-12-33-28-37(21-20-31(33)10-1)49-41-18-7-5-16-39(41)48(40-17-6-8-19-42(40)49)36-14-9-13-34(29-36)35-22-24-43-47(30-35)54-46-27-25-44-50-38-15-4-3-11-32(38)23-26-45(50)53-52(44)51(43)46;1-2-12-33-26-37(21-20-31(33)10-1)51-41-18-7-5-16-39(41)50(40-17-6-8-19-42(40)51)36-14-9-13-34(27-36)35-23-25-48-43(28-35)44-29-45-47(30-49(44)54-48)53-46-24-22-32-11-3-4-15-38(32)52(45)46/h4*1-30H.

What are the key properties of 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?

6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene has a molecular weight of 2811.51 g/mol, XLogP of 62.27, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 158723660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).