5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C198H114O6 — CID 161445380

About 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 161445380) has the molecular formula C198H114O6 and a molecular weight of 2589.08 g/mol. Its IUPAC name is 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• PubChem CID: 161445380
• Molecular Formula: C198H114O6
• Molecular Weight: 2589.08 g/mol
• Exact Mass: 2586.86
• IUPAC Name: 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• SMILES: c1ccc2c(c1)Oc1ccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccc5c(c4)Oc4cccc6cccc-5c46)c4ccc(-c5cccc6ccccc56)cc34)c3cccc-2c13.c1ccc2c(c1)Oc1ccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccc5c6c(cccc46)Oc4ccccc4-5)c4ccc(-c5cccc6ccccc56)cc34)c3cccc-2c13.c1ccc2c(c1)Oc1cccc3c(-c4c5ccc(-c6cccc7ccccc67)cc5c(-c5ccc6c7c(cccc57)Oc5ccccc5-6)c5ccc(-c6cccc7ccccc67)cc45)ccc-2c13
• InChI: InChI=1S/3C66H38O2/c1-3-17-43-39(13-1)15-9-21-45(43)41-29-31-55-57(37-41)63(53-35-33-51-47-19-5-7-25-59(47)67-61-27-11-23-49(53)65(51)61)56-32-30-42(46-22-10-16-40-14-2-4-18-44(40)46)38-58(56)64(55)54-36-34-52-48-20-6-8-26-60(48)68-62-28-12-24-50(54)66(52)62;1-3-17-43-39(13-1)15-9-21-45(43)41-30-32-56-57(37-41)63(53-34-33-52-48-20-6-8-27-60(48)67-61-28-12-25-51(53)66(52)61)55-31-29-42(46-22-10-16-40-14-2-4-18-44(40)46)38-58(55)64(56)54-35-36-62-65-49(23-11-24-50(54)65)47-19-5-7-26-59(47)68-62;1-3-18-45-39(12-1)14-7-21-47(45)42-29-33-56-57(36-42)63(44-30-31-50-51-23-9-16-41-17-10-27-60(64(41)51)68-62(50)38-44)55-32-28-43(48-22-8-15-40-13-2-4-19-46(40)48)37-58(55)65(56)54-34-35-61-66-52(24-11-25-53(54)66)49-20-5-6-26-59(49)67-61/h3*1-38H
• InChIKey: VZUYWZMLOMFLCZ-UHFFFAOYSA-N
• XLogP: 56.46
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2589.08
LogP ≤ 5	56.46
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-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The IUPAC name of 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 161445380) is 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

What is the SMILES notation for 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The canonical SMILES for 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is c1ccc2c(c1)Oc1ccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccc5c(c4)Oc4cccc6cccc-5c46)c4ccc(-c5cccc6ccccc56)cc34)c3cccc-2c13.c1ccc2c(c1)Oc1ccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccc5c6c(cccc46)Oc4ccccc4-5)c4ccc(-c5cccc6ccccc56)cc34)c3cccc-2c13.c1ccc2c(c1)Oc1cccc3c(-c4c5ccc(-c6cccc7ccccc67)cc5c(-c5ccc6c7c(cccc57)Oc5ccccc5-6)c5ccc(-c6cccc7ccccc67)cc45)ccc-2c13.

What is the InChIKey of 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The InChIKey is VZUYWZMLOMFLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C66H38O2/c1-3-17-43-39(13-1)15-9-21-45(43)41-29-31-55-57(37-41)63(53-35-33-51-47-19-5-7-25-59(47)67-61-27-11-23-49(53)65(51)61)56-32-30-42(46-22-10-16-40-14-2-4-18-44(40)46)38-58(56)64(55)54-36-34-52-48-20-6-8-26-60(48)68-62-28-12-24-50(54)66(52)62;1-3-17-43-39(13-1)15-9-21-45(43)41-30-32-56-57(37-41)63(53-34-33-52-48-20-6-8-27-60(48)67-61-28-12-25-51(53)66(52)61)55-31-29-42(46-22-10-16-40-14-2-4-18-44(40)46)38-58(55)64(56)54-35-36-62-65-49(23-11-24-50(54)65)47-19-5-7-26-59(47)68-62;1-3-18-45-39(12-1)14-7-21-47(45)42-29-33-56-57(36-42)63(44-30-31-50-51-23-9-16-41-17-10-27-60(64(41)51)68-62(50)38-44)55-32-28-43(48-22-8-15-40-13-2-4-19-46(40)48)37-58(55)65(56)54-34-35-61-66-52(24-11-25-53(54)66)49-20-5-6-26-59(49)67-61/h3*1-38H.

What are the key properties of 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 2589.08 g/mol, XLogP of 56.46, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;12-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[2,6-dinaphthalen-1-yl-10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 161445380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).