13-N,28-N-bis(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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

C84H66N4Si2 — CID 168724268

About 13-N,28-N-bis(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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 168724268) has the molecular formula C84H66N4Si2 and a molecular weight of 1187.65 g/mol. Its IUPAC name is 13-N,28-N-bis(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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: 168724268
• Molecular Formula: C84H66N4Si2
• Molecular Weight: 1187.65 g/mol
• Exact Mass: 1186.48
• IUPAC Name: 13-N,28-N-bis(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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: C[Si](C)(C)c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc([Si](C)(C)C)cc3-c3ccccc3)c3c4ccccc4n5c23)c(-c2ccccc2)c1
• InChI: InChI=1S/C84H66N4Si2/c1-89(2,3)63-41-45-75(69(51-63)57-29-15-9-16-30-57)85(61-35-23-33-59(49-61)55-25-11-7-12-26-55)77-47-43-65-71-53-80-72(54-79(71)87-73-39-21-19-37-67(73)81(77)83(65)87)66-44-48-78(82-68-38-20-22-40-74(68)88(80)84(66)82)86(62-36-24-34-60(50-62)56-27-13-8-14-28-56)76-46-42-64(90(4,5)6)52-70(76)58-31-17-10-18-32-58/h7-54H,1-6H3
• InChIKey: VUULHEUABXBPGS-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.65
LogP ≤ 5	22.68
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(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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 168724268) is 13-N,28-N-bis(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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 C[Si](C)(C)c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc([Si](C)(C)C)cc3-c3ccccc3)c3c4ccccc4n5c23)c(-c2ccccc2)c1.

What is the InChIKey of 13-N,28-N-bis(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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 VUULHEUABXBPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H66N4Si2/c1-89(2,3)63-41-45-75(69(51-63)57-29-15-9-16-30-57)85(61-35-23-33-59(49-61)55-25-11-7-12-26-55)77-47-43-65-71-53-80-72(54-79(71)87-73-39-21-19-37-67(73)81(77)83(65)87)66-44-48-78(82-68-38-20-22-40-74(68)88(80)84(66)82)86(62-36-24-34-60(50-62)56-27-13-8-14-28-56)76-46-42-64(90(4,5)6)52-70(76)58-31-17-10-18-32-58/h7-54H,1-6H3.

What are the key properties of 13-N,28-N-bis(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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 1187.65 g/mol, XLogP of 22.68, 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(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-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 168724268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).