13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

C76H66N4Si2 — CID 168724420

About 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (PubChem CID 168724420) has the molecular formula C76H66N4Si2 and a molecular weight of 1091.56 g/mol. Its IUPAC name is 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• PubChem CID: 168724420
• Molecular Formula: C76H66N4Si2
• Molecular Weight: 1091.56 g/mol
• Exact Mass: 1090.48
• IUPAC Name: 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• SMILES: CCc1ccc(-c2ccccc2)c(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3cc(CC)ccc3-c3ccccc3)c3c4ccccc4n5c23)c1
• InChI: InChI=1S/C76H66N4Si2/c1-9-49-29-39-57(51-21-13-11-14-22-51)69(45-49)77(53-31-35-55(36-32-53)81(3,4)5)67-43-41-59-63-47-72-64(48-71(63)79-65-27-19-17-25-61(65)73(67)75(59)79)60-42-44-68(74-62-26-18-20-28-66(62)80(72)76(60)74)78(54-33-37-56(38-34-54)82(6,7)8)70-46-50(10-2)30-40-58(70)52-23-15-12-16-24-52/h11-48H,9-10H2,1-8H3
• InChIKey: XTTQOLLGIRDUKH-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.56
LogP ≤ 5	20.48
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 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (CID 168724420) is 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is CCc1ccc(-c2ccccc2)c(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3cc(CC)ccc3-c3ccccc3)c3c4ccccc4n5c23)c1.

What is the InChIKey of 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The InChIKey is XTTQOLLGIRDUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H66N4Si2/c1-9-49-29-39-57(51-21-13-11-14-22-51)69(45-49)77(53-31-35-55(36-32-53)81(3,4)5)67-43-41-59-63-47-72-64(48-71(63)79-65-27-19-17-25-61(65)73(67)75(59)79)60-42-44-68(74-62-26-18-20-28-66(62)80(72)76(60)74)78(54-33-37-56(38-34-54)82(6,7)8)70-46-50(10-2)30-40-58(70)52-23-15-12-16-24-52/h11-48H,9-10H2,1-8H3.

What are the key properties of 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine has a molecular weight of 1091.56 g/mol, XLogP of 20.48, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 168724420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).