2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C43H42N6OSi — CID 11990915

IUPAC2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccc(-c2c3nc(c(-c4nccn4COCC[Si](C)(C)C)c4nc(c(-c5ccc(C)cc5)c5ccc(cc6ccc2[nH]6)[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C43H42N6OSi/c1-28-6-10-30(11-7-28)40-34-16-14-32(45-34)26-33-15-17-35(46-33)41(31-12-8-29(2)9-13-31)37-19-21-39(48-37)42(38-20-18-36(40)47-38)43-44-22-23-49(43)27-50-24-25-51(3,4)5/h6-23,26,45-46H,24-25,27H2,1-5H3/b32-26-,33-26-,40-34-,40-36-,41-35-,41-37-,42-38+,42-39+
InChIKeyICJPXWLKTKISNI-XOVOIWBPSA-N
MW686.94 g/mol
LogP10.78
Rot. Bonds8

About 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 11990915) has the molecular formula C43H42N6OSi and a molecular weight of 686.94 g/mol. Its IUPAC name is 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID11990915
Molecular FormulaC43H42N6OSi
Molecular Weight686.94 g/mol
Exact Mass686.32
IUPAC Name2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccc(-c2c3nc(c(-c4nccn4COCC[Si](C)(C)C)c4nc(c(-c5ccc(C)cc5)c5ccc(cc6ccc2[nH]6)[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C43H42N6OSi/c1-28-6-10-30(11-7-28)40-34-16-14-32(45-34)26-33-15-17-35(46-33)41(31-12-8-29(2)9-13-31)37-19-21-39(48-37)42(38-20-18-36(40)47-38)43-44-22-23-49(43)27-50-24-25-51(3,4)5/h6-23,26,45-46H,24-25,27H2,1-5H3/b32-26-,33-26-,40-34-,40-36-,41-35-,41-37-,42-38+,42-39+
InChIKeyICJPXWLKTKISNI-XOVOIWBPSA-N
XLogP10.78
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.94
LogP ≤ 510.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
5-(4-methylphenyl)-21,23-dihydroporphyrin;trihydroiodide
CID 174453543
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
trimethyl-[2-[4-[15-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
CID 135466414
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 135456185
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
15-bromo-10,20-bis(3-methylphenyl)-21,22-dihydroporphyrin
CID 177413008
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium
CID 135456186
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 11990915) is 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1ccc(-c2c3nc(c(-c4nccn4COCC[Si](C)(C)C)c4nc(c(-c5ccc(C)cc5)c5ccc(cc6ccc2[nH]6)[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ICJPXWLKTKISNI-XOVOIWBPSA-N. The full InChI is InChI=1S/C43H42N6OSi/c1-28-6-10-30(11-7-28)40-34-16-14-32(45-34)26-33-15-17-35(46-33)41(31-12-8-29(2)9-13-31)37-19-21-39(48-37)42(38-20-18-36(40)47-38)43-44-22-23-49(43)27-50-24-25-51(3,4)5/h6-23,26,45-46H,24-25,27H2,1-5H3/b32-26-,33-26-,40-34-,40-36-,41-35-,41-37-,42-38+,42-39+.
What are the key properties of 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 686.94 g/mol, XLogP of 10.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11990915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).