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

C204H114O6 — CID 161079574

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

5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 161079574) has the molecular formula C204H114O6 and a molecular weight of 2661.15 g/mol. Its IUPAC name is 5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-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-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• PubChem CID: 161079574
• Molecular Formula: C204H114O6
• Molecular Weight: 2661.15 g/mol
• Exact Mass: 2658.86
• IUPAC Name: 5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• SMILES: c1ccc2c(-c3cc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)c4ccc5c(-c6cccc7ccccc67)cc(-c6ccc7c(c6)Oc6cccc8cccc-7c68)c6ccc3c4c65)cccc2c1.c1ccc2c(c1)Oc1cccc3c(-c4cc(-c5cccc6ccccc56)c5ccc6c(-c7ccc8c(c7)Oc7cccc9cccc-8c79)cc(-c7cccc8ccccc78)c7ccc4c5c67)ccc-2c13.c1ccc2c(c1)Oc1cccc3c(-c4cc(-c5cccc6ccccc56)c5ccc6c(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc(-c7cccc8ccccc78)c7ccc4c5c76)ccc-2c13
• InChI: InChI=1S/3C68H38O2/c1-3-19-45-39(11-1)13-5-21-47(45)59-37-57(43-27-29-49-51-23-7-15-41-17-9-25-61(65(41)51)69-63(49)35-43)53-32-34-56-60(48-22-6-14-40-12-2-4-20-46(40)48)38-58(54-31-33-55(59)67(53)68(54)56)44-28-30-50-52-24-8-16-42-18-10-26-62(66(42)52)70-64(50)36-44;1-3-17-41-39(13-1)15-9-21-43(41)57-37-59(45-29-31-51-47-19-5-7-25-61(47)69-63-27-11-23-49(45)65(51)63)55-36-34-54-58(44-22-10-16-40-14-2-4-18-42(40)44)38-60(56-35-33-53(57)67(55)68(54)56)46-30-32-52-48-20-6-8-26-62(48)70-64-28-12-24-50(46)66(52)64;1-3-18-43-39(12-1)14-7-21-45(43)58-37-57(42-28-29-49-51-23-9-16-41-17-10-26-62(65(41)51)70-64(49)36-42)53-32-33-55-59(46-22-8-15-40-13-2-4-19-44(40)46)38-60(56-35-34-54(58)67(53)68(55)56)47-30-31-52-48-20-5-6-25-61(48)69-63-27-11-24-50(47)66(52)63/h3*1-38H
• InChIKey: UFSRUUCQOIQNEA-UHFFFAOYSA-N
• XLogP: 58.23
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2661.15
LogP ≤ 5	58.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-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-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 161079574) is 5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-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-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-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-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is c1ccc2c(-c3cc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)c4ccc5c(-c6cccc7ccccc67)cc(-c6ccc7c(c6)Oc6cccc8cccc-7c68)c6ccc3c4c65)cccc2c1.c1ccc2c(c1)Oc1cccc3c(-c4cc(-c5cccc6ccccc56)c5ccc6c(-c7ccc8c(c7)Oc7cccc9cccc-8c79)cc(-c7cccc8ccccc78)c7ccc4c5c67)ccc-2c13.c1ccc2c(c1)Oc1cccc3c(-c4cc(-c5cccc6ccccc56)c5ccc6c(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc(-c7cccc8ccccc78)c7ccc4c5c76)ccc-2c13.

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

The InChIKey is UFSRUUCQOIQNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C68H38O2/c1-3-19-45-39(11-1)13-5-21-47(45)59-37-57(43-27-29-49-51-23-7-15-41-17-9-25-61(65(41)51)69-63(49)35-43)53-32-34-56-60(48-22-6-14-40-12-2-4-20-46(40)48)38-58(54-31-33-55(59)67(53)68(54)56)44-28-30-50-52-24-8-16-42-18-10-26-62(66(42)52)70-64(50)36-44;1-3-17-41-39(13-1)15-9-21-43(41)57-37-59(45-29-31-51-47-19-5-7-25-61(47)69-63-27-11-23-49(45)65(51)63)55-36-34-54-58(44-22-10-16-40-14-2-4-18-42(40)44)38-60(56-35-33-53(57)67(55)68(54)56)46-30-32-52-48-20-6-8-26-62(48)70-64-28-12-24-50(46)66(52)64;1-3-18-43-39(12-1)14-7-21-45(43)58-37-57(42-28-29-49-51-23-9-16-41-17-10-26-62(65(41)51)70-64(49)36-42)53-32-33-55-59(46-22-8-15-40-13-2-4-19-44(40)46)38-60(56-35-34-54(58)67(53)68(55)56)47-30-31-52-48-20-5-6-25-61(48)69-63-27-11-24-50(47)66(52)63/h3*1-38H.

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

5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-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 2661.15 g/mol, XLogP of 58.23, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-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 161079574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).