5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

C78H46O2 — CID 166710535

About 5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 166710535) has the molecular formula C78H46O2 and a molecular weight of 1015.22 g/mol. Its IUPAC name is 5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-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-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
• PubChem CID: 166710535
• Molecular Formula: C78H46O2
• Molecular Weight: 1015.22 g/mol
• Exact Mass: 1014.35
• IUPAC Name: 5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)Oc4cc(-c6ccc(-c7c8ccccc8c(-c8ccc9c%10c(cccc8%10)Oc8ccccc8-9)c8ccccc78)cc6)ccc4-5)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C78H46O2/c1-2-16-47(17-3-1)48-32-36-50(37-33-48)73-55-19-4-8-23-59(55)76(60-24-9-5-20-56(60)73)68-45-43-66-54-41-40-52(46-72(54)80-71-31-15-28-64(68)78(66)71)49-34-38-51(39-35-49)74-57-21-6-10-25-61(57)75(62-26-11-7-22-58(62)74)67-44-42-65-53-18-12-13-29-69(53)79-70-30-14-27-63(67)77(65)70/h1-46H
• InChIKey: UIMXPNAJWMARRW-UHFFFAOYSA-N
• XLogP: 22.15
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.22
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-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-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 166710535) is 5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-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-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-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-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)Oc4cc(-c6ccc(-c7c8ccccc8c(-c8ccc9c%10c(cccc8%10)Oc8ccccc8-9)c8ccccc78)cc6)ccc4-5)c4ccccc34)cc2)cc1.

What is the InChIKey of 5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-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 UIMXPNAJWMARRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46O2/c1-2-16-47(17-3-1)48-32-36-50(37-33-48)73-55-19-4-8-23-59(55)76(60-24-9-5-20-56(60)73)68-45-43-66-54-41-40-52(46-72(54)80-71-31-15-28-64(68)78(66)71)49-34-38-51(39-35-49)74-57-21-6-10-25-61(57)75(62-26-11-7-22-58(62)74)67-44-42-65-53-18-12-13-29-69(53)79-70-30-14-27-63(67)77(65)70/h1-46H.

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

5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-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 1015.22 g/mol, XLogP of 22.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[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]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-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 166710535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).