2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane

C37H30N4Si — CID 173327875

About 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane

2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane (PubChem CID 173327875) has the molecular formula C37H30N4Si and a molecular weight of 558.76 g/mol. Its IUPAC name is 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
• PubChem CID: 173327875
• Molecular Formula: C37H30N4Si
• Molecular Weight: 558.76 g/mol
• Exact Mass: 558.22
• IUPAC Name: 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
• SMILES: C[Si](C)(C)C#Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2
• InChI: InChI=1S/C37H30N4Si/c1-42(2,3)23-22-29-30-18-20-34(40-30)36(25-10-6-4-7-11-25)32-16-14-27(38-32)24-28-15-17-33(39-28)37(26-12-8-5-9-13-26)35-21-19-31(29)41-35/h4-21,24,38,41H,1-3H3/b27-24-,28-24-,30-29-,31-29-,36-32-,36-34-,37-33-,37-35-
• InChIKey: ACRPNJMGTSMXPX-MFQFVVPWSA-N
• XLogP: 9.22
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.76
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane?

The IUPAC name of 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane (CID 173327875) is 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane.

What is the SMILES notation for 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane?

The canonical SMILES for 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.

What is the InChIKey of 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane?

The InChIKey is ACRPNJMGTSMXPX-MFQFVVPWSA-N. The full InChI is InChI=1S/C37H30N4Si/c1-42(2,3)23-22-29-30-18-20-34(40-30)36(25-10-6-4-7-11-25)32-16-14-27(38-32)24-28-15-17-33(39-28)37(26-12-8-5-9-13-26)35-21-19-31(29)41-35/h4-21,24,38,41H,1-3H3/b27-24-,28-24-,30-29-,31-29-,36-32-,36-34-,37-33-,37-35-.

What are the key properties of 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane?

2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane has a molecular weight of 558.76 g/mol, XLogP of 9.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 173327875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).