diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane

C64H78N4O8Si4 — CID 136846592

About diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane

diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane (PubChem CID 136846592) has the molecular formula C64H78N4O8Si4 and a molecular weight of 1143.69 g/mol. Its IUPAC name is diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane.

Molecular Properties

• Compound Name: diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane
• PubChem CID: 136846592
• Molecular Formula: C64H78N4O8Si4
• Molecular Weight: 1143.69 g/mol
• Exact Mass: 1142.49
• IUPAC Name: diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane
• SMILES: CCO[Si](C)(OCC)c1ccc(-c2c3nc(c(-c4ccc([Si](C)(OCC)OCC)cc4)c4ccc([nH]4)c(-c4ccc([Si](C)(OCC)OCC)cc4)c4nc(c(-c5ccc([Si](C)(OCC)OCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
• InChI: InChI=1S/C64H78N4O8Si4/c1-13-69-77(9,70-14-2)49-29-21-45(22-30-49)61-53-37-39-55(65-53)62(46-23-31-50(32-24-46)78(10,71-15-3)72-16-4)57-41-43-59(67-57)64(48-27-35-52(36-28-48)80(12,75-19-7)76-20-8)60-44-42-58(68-60)63(56-40-38-54(61)66-56)47-25-33-51(34-26-47)79(11,73-17-5)74-18-6/h21-44,65,68H,13-20H2,1-12H3/b61-53-,61-54-,62-55-,62-57-,63-56-,63-58-,64-59-,64-60-
• InChIKey: MLJHEQDKIVZNQF-WJVFOVLXSA-N
• XLogP: 12.73
• TPSA: 131.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1143.69
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane?

The IUPAC name of diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane (CID 136846592) is diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane.

What is the SMILES notation for diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane?

The canonical SMILES for diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane is CCO[Si](C)(OCC)c1ccc(-c2c3nc(c(-c4ccc([Si](C)(OCC)OCC)cc4)c4ccc([nH]4)c(-c4ccc([Si](C)(OCC)OCC)cc4)c4nc(c(-c5ccc([Si](C)(OCC)OCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.

What is the InChIKey of diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane?

The InChIKey is MLJHEQDKIVZNQF-WJVFOVLXSA-N. The full InChI is InChI=1S/C64H78N4O8Si4/c1-13-69-77(9,70-14-2)49-29-21-45(22-30-49)61-53-37-39-55(65-53)62(46-23-31-50(32-24-46)78(10,71-15-3)72-16-4)57-41-43-59(67-57)64(48-27-35-52(36-28-48)80(12,75-19-7)76-20-8)60-44-42-58(68-60)63(56-40-38-54(61)66-56)47-25-33-51(34-26-47)79(11,73-17-5)74-18-6/h21-44,65,68H,13-20H2,1-12H3/b61-53-,61-54-,62-55-,62-57-,63-56-,63-58-,64-59-,64-60-.

What are the key properties of diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane?

diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane has a molecular weight of 1143.69 g/mol, XLogP of 12.73, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for diethoxy-methyl-[4-[10,15,20-tris[4-[diethoxy(methyl)silyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane is sourced from PubChem (CID 136846592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).