3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde

C71H68O9 — CID 163538215

About 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde

3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde (PubChem CID 163538215) has the molecular formula C71H68O9 and a molecular weight of 1065.32 g/mol. Its IUPAC name is 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde.

Molecular Properties

• Compound Name: 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde
• PubChem CID: 163538215
• Molecular Formula: C71H68O9
• Molecular Weight: 1065.32 g/mol
• Exact Mass: 1064.49
• IUPAC Name: 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde
• SMILES: CC(C)(OCC(O)COc1ccc(C2(c3ccc(C(C)(C)OCC4CO4)cc3)CC(c3ccccc3)c3ccc(C=O)cc32)cc1)c1ccc(C2(c3ccc(OCC4CO4)cc3)CC(c3ccccc3)c3ccc(C=O)cc32)cc1
• InChI: InChI=1S/C71H68O9/c1-68(2,51-17-21-53(22-18-51)71(56-27-31-59(32-28-56)76-43-60-44-77-60)38-65(50-13-9-6-10-14-50)63-34-16-48(40-73)36-67(63)71)79-42-57(74)41-75-58-29-25-55(26-30-58)70(54-23-19-52(20-24-54)69(3,4)80-46-61-45-78-61)37-64(49-11-7-5-8-12-49)62-33-15-47(39-72)35-66(62)70/h5-36,39-40,57,60-61,64-65,74H,37-38,41-46H2,1-4H3
• InChIKey: DYVHDAIFYYLXBX-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 116.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.32
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde?

The IUPAC name of 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde (CID 163538215) is 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde.

What is the SMILES notation for 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde?

The canonical SMILES for 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde is CC(C)(OCC(O)COc1ccc(C2(c3ccc(C(C)(C)OCC4CO4)cc3)CC(c3ccccc3)c3ccc(C=O)cc32)cc1)c1ccc(C2(c3ccc(OCC4CO4)cc3)CC(c3ccccc3)c3ccc(C=O)cc32)cc1.

What is the InChIKey of 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde?

The InChIKey is DYVHDAIFYYLXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H68O9/c1-68(2,51-17-21-53(22-18-51)71(56-27-31-59(32-28-56)76-43-60-44-77-60)38-65(50-13-9-6-10-14-50)63-34-16-48(40-73)36-67(63)71)79-42-57(74)41-75-58-29-25-55(26-30-58)70(54-23-19-52(20-24-54)69(3,4)80-46-61-45-78-61)37-64(49-11-7-5-8-12-49)62-33-15-47(39-72)35-66(62)70/h5-36,39-40,57,60-61,64-65,74H,37-38,41-46H2,1-4H3.

What are the key properties of 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde?

3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde has a molecular weight of 1065.32 g/mol, XLogP of 13.17, 22 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[3-[4-[6-formyl-1-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]-2-hydroxypropoxy]propan-2-yl]phenyl]-3-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenyl-1,2-dihydroindene-5-carbaldehyde is sourced from PubChem (CID 163538215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).