triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane

C92H142N4O24Si8 — CID 136866338

About triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane

triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane (PubChem CID 136866338) has the molecular formula C92H142N4O24Si8 and a molecular weight of 1912.84 g/mol. Its IUPAC name is triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane.

Molecular Properties

• Compound Name: triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane
• PubChem CID: 136866338
• Molecular Formula: C92H142N4O24Si8
• Molecular Weight: 1912.84 g/mol
• Exact Mass: 1910.82
• IUPAC Name: triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane
• SMILES: CCO[Si](OCC)(OCC)c1cc(-c2c3nc(c(-c4cc([Si](OCC)(OCC)OCC)cc([Si](OCC)(OCC)OCC)c4)c4ccc([nH]4)c(-c4cc([Si](OCC)(OCC)OCC)cc([Si](OCC)(OCC)OCC)c4)c4nc(c(-c5cc([Si](OCC)(OCC)OCC)cc([Si](OCC)(OCC)OCC)c5)c5ccc2[nH]5)C=C4)C=C3)cc([Si](OCC)(OCC)OCC)c1
• InChI: InChI=1S/C92H142N4O24Si8/c1-25-97-121(98-26-2,99-27-3)73-57-69(58-74(65-73)122(100-28-4,101-29-5)102-30-6)89-81-49-51-83(93-81)90(70-59-75(123(103-31-7,104-32-8)105-33-9)66-76(60-70)124(106-34-10,107-35-11)108-36-12)85-53-55-87(95-85)92(72-63-79(127(115-43-19,116-44-20)117-45-21)68-80(64-72)128(118-46-22,119-47-23)120-48-24)88-56-54-86(96-88)91(84-52-50-82(89)94-84)71-61-77(125(109-37-13,110-38-14)111-39-15)67-78(62-71)126(112-40-16,113-41-17)114-42-18/h49-68,93,96H,25-48H2,1-24H3/b89-81-,89-82-,90-83-,90-85-,91-84-,91-86-,92-87-,92-88-
• InChIKey: UWUAZVWCBBAROL-FNNPUSOKSA-N
• XLogP: 13.37
• TPSA: 278.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 60
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1912.84
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane?

The IUPAC name of triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane (CID 136866338) is triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane.

What is the SMILES notation for triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane?

The canonical SMILES for triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane is CCO[Si](OCC)(OCC)c1cc(-c2c3nc(c(-c4cc([Si](OCC)(OCC)OCC)cc([Si](OCC)(OCC)OCC)c4)c4ccc([nH]4)c(-c4cc([Si](OCC)(OCC)OCC)cc([Si](OCC)(OCC)OCC)c4)c4nc(c(-c5cc([Si](OCC)(OCC)OCC)cc([Si](OCC)(OCC)OCC)c5)c5ccc2[nH]5)C=C4)C=C3)cc([Si](OCC)(OCC)OCC)c1.

What is the InChIKey of triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane?

The InChIKey is UWUAZVWCBBAROL-FNNPUSOKSA-N. The full InChI is InChI=1S/C92H142N4O24Si8/c1-25-97-121(98-26-2,99-27-3)73-57-69(58-74(65-73)122(100-28-4,101-29-5)102-30-6)89-81-49-51-83(93-81)90(70-59-75(123(103-31-7,104-32-8)105-33-9)66-76(60-70)124(106-34-10,107-35-11)108-36-12)85-53-55-87(95-85)92(72-63-79(127(115-43-19,116-44-20)117-45-21)68-80(64-72)128(118-46-22,119-47-23)120-48-24)88-56-54-86(96-88)91(84-52-50-82(89)94-84)71-61-77(125(109-37-13,110-38-14)111-39-15)67-78(62-71)126(112-40-16,113-41-17)114-42-18/h49-68,93,96H,25-48H2,1-24H3/b89-81-,89-82-,90-83-,90-85-,91-84-,91-86-,92-87-,92-88-.

What are the key properties of triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane?

triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane has a molecular weight of 1912.84 g/mol, XLogP of 13.37, 60 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy-[3-triethoxysilyl-5-[10,15,20-tris[3,5-bis(triethoxysilyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]silane is sourced from PubChem (CID 136866338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).