N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide

C54H45N5O4Si — CID 123608768

About N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide

N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide (PubChem CID 123608768) has the molecular formula C54H45N5O4Si and a molecular weight of 856.07 g/mol. Its IUPAC name is N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide.

Molecular Properties

• Compound Name: N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
• PubChem CID: 123608768
• Molecular Formula: C54H45N5O4Si
• Molecular Weight: 856.07 g/mol
• Exact Mass: 855.32
• IUPAC Name: N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
• SMILES: CO[Si](OC)(OC)c1ccc(NC(=O)c2ccc(C3=c4ccc([nH]4)=C(c4ccccc4)c4ccc([nH]4)C(c4ccccc4)=c4ccc([nH]4)=C(c4ccccc4)c4ccc3[nH]4)cc2)cc1
• InChI: InChI=1S/C54H45N5O4Si/c1-61-64(62-2,63-3)41-25-23-40(24-26-41)55-54(60)39-21-19-38(20-22-39)53-48-33-31-46(58-48)51(36-15-9-5-10-16-36)44-29-27-42(56-44)50(35-13-7-4-8-14-35)43-28-30-45(57-43)52(37-17-11-6-12-18-37)47-32-34-49(53)59-47/h4-34,56-59H,1-3H3,(H,55,60)
• InChIKey: SZQINXYIYWRJOS-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 119.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.07
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide?

The IUPAC name of N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide (CID 123608768) is N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide.

What is the SMILES notation for N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide?

The canonical SMILES for N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide is CO[Si](OC)(OC)c1ccc(NC(=O)c2ccc(C3=c4ccc([nH]4)=C(c4ccccc4)c4ccc([nH]4)C(c4ccccc4)=c4ccc([nH]4)=C(c4ccccc4)c4ccc3[nH]4)cc2)cc1.

What is the InChIKey of N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide?

The InChIKey is SZQINXYIYWRJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N5O4Si/c1-61-64(62-2,63-3)41-25-23-40(24-26-41)55-54(60)39-21-19-38(20-22-39)53-48-33-31-46(58-48)51(36-15-9-5-10-16-36)44-29-27-42(56-44)50(35-13-7-4-8-14-35)43-28-30-45(57-43)52(37-17-11-6-12-18-37)47-32-34-49(53)59-47/h4-34,56-59H,1-3H3,(H,55,60).

What are the key properties of N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide?

N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide has a molecular weight of 856.07 g/mol, XLogP of 6.64, 10 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide is sourced from PubChem (CID 123608768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).