trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane

C61H62N4Si — CID 10629493

IUPACtrimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane
SMILESCC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C#C[Si](C)(C)C)cc4)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5ccc([nH]5)c(-c5ccc(C(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C61H62N4Si/c1-59(2,3)44-23-17-41(18-24-44)56-49-31-29-47(62-49)55(40-15-13-39(14-16-40)37-38-66(10,11)12)48-30-32-50(63-48)57(42-19-25-45(26-20-42)60(4,5)6)52-34-36-54(65-52)58(53-35-33-51(56)64-53)43-21-27-46(28-22-43)61(7,8)9/h13-36,64-65H,1-12H3/b55-47-,55-48-,56-49-,56-51-,57-50-,57-52-,58-53-,58-54-
InChIKeyWUFKXSLWMJGHKZ-MXRZNNOWSA-N
MW879.28 g/mol
LogP16.44
Rot. Bonds4

About trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane

trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane (PubChem CID 10629493) has the molecular formula C61H62N4Si and a molecular weight of 879.28 g/mol. Its IUPAC name is trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane
PubChem CID10629493
Molecular FormulaC61H62N4Si
Molecular Weight879.28 g/mol
Exact Mass878.47
IUPAC Nametrimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane
SMILESCC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C#C[Si](C)(C)C)cc4)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5ccc([nH]5)c(-c5ccc(C(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C61H62N4Si/c1-59(2,3)44-23-17-41(18-24-44)56-49-31-29-47(62-49)55(40-15-13-39(14-16-40)37-38-66(10,11)12)48-30-32-50(63-48)57(42-19-25-45(26-20-42)60(4,5)6)52-34-36-54(65-52)58(53-35-33-51(56)64-53)43-21-27-46(28-22-43)61(7,8)9/h13-36,64-65H,1-12H3/b55-47-,55-48-,56-49-,56-51-,57-50-,57-52-,58-53-,58-54-
InChIKeyWUFKXSLWMJGHKZ-MXRZNNOWSA-N
XLogP16.44
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.28
LogP ≤ 516.44
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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Related Compounds

2-[4-[10,20-bis(2,3,4,5,6-pentafluorophenyl)-15-[4-(2-trimethylsilylethynyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl-trimethylsilane
CID 135481097
5,10,15-tris(4-tert-butylphenyl)-22,24-dihydro-21H-corrin
CID 74788342
5,20-bis(4-tert-butylphenyl)-10,15-bis(4-iodophenyl)-21,23-dihydroporphyrin
CID 136913893
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-ethynylphenyl)-21,23-dihydroporphyrin
CID 136691495
trimethyl-[2-[4-[10-(2,4,6-trimethylphenyl)-20-[4-(2-trimethylsilylethynyl)phenyl]-15-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]silane
CID 135480486
2-methyl-4-[4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]but-3-yn-2-ol
CID 11411606
2-[3,5-dimethyl-4-[15-(4-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]ethynyl-trimethylsilane
CID 135829265
4-[10,20-bis(4-tert-butylphenyl)-15-(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 137211640
5,10,15,20-tetrakis(4-tert-butylphenyl)-23-methyl-21H-porphyrin
CID 118491319
4-[4-[10-[4-(4-cyanophenyl)phenyl]-15,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]benzonitrile
CID 136812073
trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane
CID 11181806
4-[2-[4-[10,15,20-tris[4-[2-(4-cyanophenyl)ethynyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]benzonitrile
CID 16733126

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane (CID 10629493) is trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane is CC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C#C[Si](C)(C)C)cc4)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5ccc([nH]5)c(-c5ccc(C(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane?
The InChIKey is WUFKXSLWMJGHKZ-MXRZNNOWSA-N. The full InChI is InChI=1S/C61H62N4Si/c1-59(2,3)44-23-17-41(18-24-44)56-49-31-29-47(62-49)55(40-15-13-39(14-16-40)37-38-66(10,11)12)48-30-32-50(63-48)57(42-19-25-45(26-20-42)60(4,5)6)52-34-36-54(65-52)58(53-35-33-51(56)64-53)43-21-27-46(28-22-43)61(7,8)9/h13-36,64-65H,1-12H3/b55-47-,55-48-,56-49-,56-51-,57-50-,57-52-,58-53-,58-54-.
What are the key properties of trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane?
trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane has a molecular weight of 879.28 g/mol, XLogP of 16.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane is sourced from PubChem (CID 10629493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).