trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane

C46H56N4Si — CID 11181806

IUPACtrimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane
SMILESCCCCCc1c2nc(c(CCCCC)c3ccc([nH]3)c(-c3ccc(C#C[Si](C)(C)C)cc3)c3ccc([nH]3)c(CCCCC)c3nc1C=C3)C=C2
InChIInChI=1S/C46H56N4Si/c1-7-10-13-16-35-38-23-25-40(47-38)36(17-14-11-8-2)42-27-29-44(49-42)46(34-21-19-33(20-22-34)31-32-51(4,5)6)45-30-28-43(50-45)37(18-15-12-9-3)41-26-24-39(35)48-41/h19-30,49-50H,7-18H2,1-6H3/b38-35-,39-35-,40-36-,41-37-,42-36-,43-37-,46-44-,46-45-
InChIKeyIORHJHNMCUTBFM-AOMHHNRMSA-N
MW693.07 g/mol
LogP12.75
Rot. Bonds13

About trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane

trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane (PubChem CID 11181806) has the molecular formula C46H56N4Si and a molecular weight of 693.07 g/mol. Its IUPAC name is trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane
PubChem CID11181806
Molecular FormulaC46H56N4Si
Molecular Weight693.07 g/mol
Exact Mass692.43
IUPAC Nametrimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane
SMILESCCCCCc1c2nc(c(CCCCC)c3ccc([nH]3)c(-c3ccc(C#C[Si](C)(C)C)cc3)c3ccc([nH]3)c(CCCCC)c3nc1C=C3)C=C2
InChIInChI=1S/C46H56N4Si/c1-7-10-13-16-35-38-23-25-40(47-38)36(17-14-11-8-2)42-27-29-44(49-42)46(34-21-19-33(20-22-34)31-32-51(4,5)6)45-30-28-43(50-45)37(18-15-12-9-3)41-26-24-39(35)48-41/h19-30,49-50H,7-18H2,1-6H3/b38-35-,39-35-,40-36-,41-37-,42-36-,43-37-,46-44-,46-45-
InChIKeyIORHJHNMCUTBFM-AOMHHNRMSA-N
XLogP12.75
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.07
LogP ≤ 512.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,15,20-tripentyl-5-[4-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]phenyl]-21,22-dihydroporphyrin
CID 11194197
5,15-bis(4-ethynylphenyl)-10,20-dipentyl-21,22-dihydroporphyrin
CID 136754225
5,10,15,20-tetra(tridecyl)-21,22-dihydroporphyrin
CID 86045230
chromium;5,10,15,20-tetrabutyl-21,22-dihydroporphyrin
CID 158233233
trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane
CID 10629493
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
10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 10699782
2-[10,20-dipentyl-15-[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl-tri(propan-2-yl)silane
CID 162097360
4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol
CID 136701566
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
3-(15-hexyl-10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 136798654
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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane (CID 11181806) is trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane is CCCCCc1c2nc(c(CCCCC)c3ccc([nH]3)c(-c3ccc(C#C[Si](C)(C)C)cc3)c3ccc([nH]3)c(CCCCC)c3nc1C=C3)C=C2.
What is the InChIKey of trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane?
The InChIKey is IORHJHNMCUTBFM-AOMHHNRMSA-N. The full InChI is InChI=1S/C46H56N4Si/c1-7-10-13-16-35-38-23-25-40(47-38)36(17-14-11-8-2)42-27-29-44(49-42)46(34-21-19-33(20-22-34)31-32-51(4,5)6)45-30-28-43(50-45)37(18-15-12-9-3)41-26-24-39(35)48-41/h19-30,49-50H,7-18H2,1-6H3/b38-35-,39-35-,40-36-,41-37-,42-36-,43-37-,46-44-,46-45-.
What are the key properties of trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane?
trimethyl-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane has a molecular weight of 693.07 g/mol, XLogP of 12.75, 13 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-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]silane is sourced from PubChem (CID 11181806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).