8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C58H44N4Si — CID 157438169

About 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 157438169) has the molecular formula C58H44N4Si and a molecular weight of 825.10 g/mol. Its IUPAC name is 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 157438169
• Molecular Formula: C58H44N4Si
• Molecular Weight: 825.10 g/mol
• Exact Mass: 824.33
• IUPAC Name: 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: Cc1cccc(N(c2ccccc2)c2ccc3c4cccc5c6cc7c(cc6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc4n7c32)c1
• InChI: InChI=1S/C58H44N4Si/c1-37-15-11-20-40(31-37)59(38-16-7-5-8-17-38)42-27-29-45-47-23-13-25-49-51-36-56-52(35-55(51)61(57(47)49)53(45)33-42)50-26-14-24-48-46-30-28-43(34-54(46)62(56)58(48)50)60(39-18-9-6-10-19-39)41-21-12-22-44(32-41)63(2,3)4/h5-36H,1-4H3
• InChIKey: YBYADLOBPDXBFX-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.10
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	0
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 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 157438169) is 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is Cc1cccc(N(c2ccccc2)c2ccc3c4cccc5c6cc7c(cc6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc4n7c32)c1.

What is the InChIKey of 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The InChIKey is YBYADLOBPDXBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4Si/c1-37-15-11-20-40(31-37)59(38-16-7-5-8-17-38)42-27-29-45-47-23-13-25-49-51-36-56-52(35-55(51)61(57(47)49)53(45)33-42)50-26-14-24-48-46-30-28-43(34-54(46)62(56)58(48)50)60(39-18-9-6-10-19-39)41-21-12-22-44(32-41)63(2,3)4/h5-36H,1-4H3.

What are the key properties of 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 825.10 g/mol, XLogP of 15.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(3-methylphenyl)-8-N,23-N-diphenyl-23-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 157438169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).