3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane

C96H90O7 — CID 137418050

About 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane

3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane (PubChem CID 137418050) has the molecular formula C96H90O7 and a molecular weight of 1355.77 g/mol. Its IUPAC name is 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane.

Molecular Properties

• Compound Name: 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
• PubChem CID: 137418050
• Molecular Formula: C96H90O7
• Molecular Weight: 1355.77 g/mol
• Exact Mass: 1354.67
• IUPAC Name: 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
• SMILES: CCC1(COCCCCCOCc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(Oc6ccc(-c7ccc(-c8c9ccccc9c(-c9ccc(COCCCCCOCC%10(CC)COC%10)cc9)c9ccccc89)c8ccccc78)cc6)cc5)c5ccccc45)c4ccccc34)cc2)COC1
• InChI: InChI=1S/C96H90O7/c1-3-95(63-101-64-95)61-99-57-21-5-19-55-97-59-67-35-39-69(40-36-67)75-51-53-89(79-25-9-7-23-77(75)79)94-87-33-17-13-29-83(87)92(84-30-14-18-34-88(84)94)72-45-49-74(50-46-72)103-73-47-43-70(44-48-73)76-52-54-90(80-26-10-8-24-78(76)80)93-85-31-15-11-27-81(85)91(82-28-12-16-32-86(82)93)71-41-37-68(38-42-71)60-98-56-20-6-22-58-100-62-96(4-2)65-102-66-96/h7-18,23-54H,3-6,19-22,55-66H2,1-2H3
• InChIKey: OFUQPQPVVBIFCD-UHFFFAOYSA-N
• XLogP: 24.66
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 30
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1355.77
LogP ≤ 5	24.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane?

The IUPAC name of 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane (CID 137418050) is 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane.

What is the SMILES notation for 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane?

The canonical SMILES for 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane is CCC1(COCCCCCOCc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(Oc6ccc(-c7ccc(-c8c9ccccc9c(-c9ccc(COCCCCCOCC%10(CC)COC%10)cc9)c9ccccc89)c8ccccc78)cc6)cc5)c5ccccc45)c4ccccc34)cc2)COC1.

What is the InChIKey of 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane?

The InChIKey is OFUQPQPVVBIFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H90O7/c1-3-95(63-101-64-95)61-99-57-21-5-19-55-97-59-67-35-39-69(40-36-67)75-51-53-89(79-25-9-7-23-77(75)79)94-87-33-17-13-29-83(87)92(84-30-14-18-34-88(84)94)72-45-49-74(50-46-72)103-73-47-43-70(44-48-73)76-52-54-90(80-26-10-8-24-78(76)80)93-85-31-15-11-27-81(85)91(82-28-12-16-32-86(82)93)71-41-37-68(38-42-71)60-98-56-20-6-22-58-100-62-96(4-2)65-102-66-96/h7-18,23-54H,3-6,19-22,55-66H2,1-2H3.

What are the key properties of 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane?

3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane has a molecular weight of 1355.77 g/mol, XLogP of 24.66, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane is sourced from PubChem (CID 137418050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).