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

C82H46O3 — CID 166710582

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

5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 166710582) has the molecular formula C82H46O3 and a molecular weight of 1079.27 g/mol. Its IUPAC name is 5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
• PubChem CID: 166710582
• Molecular Formula: C82H46O3
• Molecular Weight: 1079.27 g/mol
• Exact Mass: 1078.34
• IUPAC Name: 5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
• SMILES: c1cc2c3c(cccc3c1)-c1ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7c8c(cccc68)Oc6cc(-c8c9ccccc9c(-c9ccc%10oc%11ccccc%11c%10c9)c9ccccc89)ccc6-7)ccc5c4)c4ccccc34)cc1O2
• InChI: InChI=1S/C82H46O3/c1-5-21-65-61(17-1)77(62-18-2-6-22-66(62)79(65)53-34-37-57-60-25-11-14-47-15-12-28-73(81(47)60)84-75(57)45-53)51-33-31-48-42-50(32-30-49(48)43-51)55-39-40-69-58-38-35-54(46-76(58)85-74-29-13-26-59(55)82(69)74)80-67-23-7-3-19-63(67)78(64-20-4-8-24-68(64)80)52-36-41-72-70(44-52)56-16-9-10-27-71(56)83-72/h1-46H
• InChIKey: ILUWPLSNFCLUFL-UHFFFAOYSA-N
• XLogP: 23.54
• TPSA: 31.60 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.27
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?

The IUPAC name of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 166710582) is 5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

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

The canonical SMILES for 5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is c1cc2c3c(cccc3c1)-c1ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7c8c(cccc68)Oc6cc(-c8c9ccccc9c(-c9ccc%10oc%11ccccc%11c%10c9)c9ccccc89)ccc6-7)ccc5c4)c4ccccc34)cc1O2.

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

The InChIKey is ILUWPLSNFCLUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H46O3/c1-5-21-65-61(17-1)77(62-18-2-6-22-66(62)79(65)53-34-37-57-60-25-11-14-47-15-12-28-73(81(47)60)84-75(57)45-53)51-33-31-48-42-50(32-30-49(48)43-51)55-39-40-69-58-38-35-54(46-76(58)85-74-29-13-26-59(55)82(69)74)80-67-23-7-3-19-63(67)78(64-20-4-8-24-68(64)80)52-36-41-72-70(44-52)56-16-9-10-27-71(56)83-72/h1-46H.

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

5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene has a molecular weight of 1079.27 g/mol, XLogP of 23.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is sourced from PubChem (CID 166710582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).