5-[3,8-dinaphthalen-2-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-2-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-2-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 159495346

About 5-[3,8-dinaphthalen-2-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-2-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-2-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-2-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-2-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-2-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 159495346) has the molecular formula C204H114O6 and a molecular weight of 2661.15 g/mol. Its IUPAC name is 5-[3,8-dinaphthalen-2-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-2-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-2-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-2-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-2-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-2-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: 159495346
• Molecular Formula: C204H114O6
• Molecular Weight: 2661.15 g/mol
• Exact Mass: 2658.86
• IUPAC Name: 5-[3,8-dinaphthalen-2-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-2-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-2-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(c1)Oc1cccc3c(-c4cc(-c5ccc6ccccc6c5)c5ccc6c(-c7ccc8c(c7)Oc7cccc9cccc-8c79)cc(-c7ccc8ccccc8c7)c7ccc4c5c67)ccc-2c13.c1ccc2c(c1)Oc1cccc3c(-c4cc(-c5ccc6ccccc6c5)c5ccc6c(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc(-c7ccc8ccccc8c7)c7ccc4c5c76)ccc-2c13.c1ccc2cc(-c3cc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)c4ccc5c(-c6ccc7ccccc7c6)cc(-c6ccc7c(c6)Oc6cccc8cccc-7c68)c6ccc3c4c65)ccc2c1
• InChI: InChI=1S/3C68H38O2/c1-3-11-43-33-45(23-21-39(43)9-1)57-37-59(47-25-27-49-51-17-5-13-41-15-7-19-61(65(41)51)69-63(49)35-47)55-32-30-54-58(46-24-22-40-10-2-4-12-44(40)34-46)38-60(56-31-29-53(57)67(55)68(54)56)48-26-28-50-52-18-6-14-42-16-8-20-62(66(42)52)70-64(50)36-48;1-3-13-41-35-43(25-23-39(41)11-1)57-37-59(45-27-29-51-47-15-5-7-19-61(47)69-63-21-9-17-49(45)65(51)63)55-34-32-54-58(44-26-24-40-12-2-4-14-42(40)36-44)38-60(56-33-31-53(57)67(55)68(54)56)46-28-30-52-48-16-6-8-20-62(48)70-64-22-10-18-50(46)66(52)64;1-3-12-42-34-44(24-22-39(42)10-1)57-37-58(46-26-27-49-51-17-7-14-41-15-8-20-62(65(41)51)70-64(49)36-46)54-30-31-55-59(45-25-23-40-11-2-4-13-43(40)35-45)38-60(56-33-32-53(57)67(54)68(55)56)47-28-29-52-48-16-5-6-19-61(48)69-63-21-9-18-50(47)66(52)63/h3*1-38H
• InChIKey: LYSDNLJOKFEMOQ-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-2-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-2-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-2-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-2-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-2-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-2-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 159495346) is 5-[3,8-dinaphthalen-2-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-2-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-2-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-2-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-2-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-2-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-2-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-2-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-2-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(c1)Oc1cccc3c(-c4cc(-c5ccc6ccccc6c5)c5ccc6c(-c7ccc8c(c7)Oc7cccc9cccc-8c79)cc(-c7ccc8ccccc8c7)c7ccc4c5c67)ccc-2c13.c1ccc2c(c1)Oc1cccc3c(-c4cc(-c5ccc6ccccc6c5)c5ccc6c(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc(-c7ccc8ccccc8c7)c7ccc4c5c76)ccc-2c13.c1ccc2cc(-c3cc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)c4ccc5c(-c6ccc7ccccc7c6)cc(-c6ccc7c(c6)Oc6cccc8cccc-7c68)c6ccc3c4c65)ccc2c1.

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

What are the key properties of 5-[3,8-dinaphthalen-2-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-2-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-2-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-2-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-2-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-2-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-2-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-2-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-2-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 159495346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).