tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane

C64H94N4Si4 — CID 12059699

IUPACtri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2nc(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccc([nH]3)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccc([nH]3)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3nc1C=C3)C=C2)(C(C)C)C(C)C
InChIInChI=1S/C64H94N4Si4/c1-41(2)69(42(3)4,43(5)6)37-33-53-57-25-27-59(65-57)54(34-38-70(44(7)8,45(9)10)46(11)12)61-29-31-63(67-61)56(36-40-72(50(19)20,51(21)22)52(23)24)64-32-30-62(68-64)55(60-28-26-58(53)66-60)35-39-71(47(13)14,48(15)16)49(17)18/h25-32,41-52,65-66H,1-24H3/b57-53-,58-53-,59-54-,60-55-,61-54-,62-55-,63-56-,64-56-
InChIKeyDBVRTLGLESKADG-MQBWUZRWSA-N
MW1031.83 g/mol
LogP18.93
Rot. Bonds12

About tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane

tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane (PubChem CID 12059699) has the molecular formula C64H94N4Si4 and a molecular weight of 1031.83 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane
PubChem CID12059699
Molecular FormulaC64H94N4Si4
Molecular Weight1031.83 g/mol
Exact Mass1030.66
IUPAC Nametri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2nc(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccc([nH]3)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccc([nH]3)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3nc1C=C3)C=C2)(C(C)C)C(C)C
InChIInChI=1S/C64H94N4Si4/c1-41(2)69(42(3)4,43(5)6)37-33-53-57-25-27-59(65-57)54(34-38-70(44(7)8,45(9)10)46(11)12)61-29-31-63(67-61)56(36-40-72(50(19)20,51(21)22)52(23)24)64-32-30-62(68-64)55(60-28-26-58(53)66-60)35-39-71(47(13)14,48(15)16)49(17)18/h25-32,41-52,65-66H,1-24H3/b57-53-,58-53-,59-54-,60-55-,61-54-,62-55-,63-56-,64-56-
InChIKeyDBVRTLGLESKADG-MQBWUZRWSA-N
XLogP18.93
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.83
LogP ≤ 518.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane (CID 12059699) is tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2nc(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccc([nH]3)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccc([nH]3)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3nc1C=C3)C=C2)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane?
The InChIKey is DBVRTLGLESKADG-MQBWUZRWSA-N. The full InChI is InChI=1S/C64H94N4Si4/c1-41(2)69(42(3)4,43(5)6)37-33-53-57-25-27-59(65-57)54(34-38-70(44(7)8,45(9)10)46(11)12)61-29-31-63(67-61)56(36-40-72(50(19)20,51(21)22)52(23)24)64-32-30-62(68-64)55(60-28-26-58(53)66-60)35-39-71(47(13)14,48(15)16)49(17)18/h25-32,41-52,65-66H,1-24H3/b57-53-,58-53-,59-54-,60-55-,61-54-,62-55-,63-56-,64-56-.
What are the key properties of tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane has a molecular weight of 1031.83 g/mol, XLogP of 18.93, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[10,15,20-tris[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]silane is sourced from PubChem (CID 12059699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).