13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-6-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

C72H58N4Si2 — CID 168724387

About 13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-6-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-diphenyl-13-N,28-N-bis(2-phenyl-6-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 168724387) has the molecular formula C72H58N4Si2 and a molecular weight of 1035.46 g/mol. Its IUPAC name is 13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-6-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-diphenyl-13-N,28-N-bis(2-phenyl-6-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: 168724387
• Molecular Formula: C72H58N4Si2
• Molecular Weight: 1035.46 g/mol
• Exact Mass: 1034.42
• IUPAC Name: 13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-6-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)c1cccc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(N(c2ccccc2)c2c(-c3ccccc3)cccc2[Si](C)(C)C)c2c3ccccc3n4c12
• InChI: InChI=1S/C72H58N4Si2/c1-77(2,3)65-39-23-35-51(47-25-11-7-12-26-47)69(65)73(49-29-15-9-16-30-49)61-43-41-53-57-45-64-58(46-63(57)75-59-37-21-19-33-55(59)67(61)71(53)75)54-42-44-62(68-56-34-20-22-38-60(56)76(64)72(54)68)74(50-31-17-10-18-32-50)70-52(48-27-13-8-14-28-48)36-24-40-66(70)78(4,5)6/h7-46H,1-6H3
• InChIKey: LRLLCTRPYAVNEA-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.46
LogP ≤ 5	19.35
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-diphenyl-13-N,28-N-bis(2-phenyl-6-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-diphenyl-13-N,28-N-bis(2-phenyl-6-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 168724387) is 13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-6-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-diphenyl-13-N,28-N-bis(2-phenyl-6-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-diphenyl-13-N,28-N-bis(2-phenyl-6-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)c1cccc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(N(c2ccccc2)c2c(-c3ccccc3)cccc2[Si](C)(C)C)c2c3ccccc3n4c12.

What is the InChIKey of 13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-6-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 LRLLCTRPYAVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N4Si2/c1-77(2,3)65-39-23-35-51(47-25-11-7-12-26-47)69(65)73(49-29-15-9-16-30-49)61-43-41-53-57-45-64-58(46-63(57)75-59-37-21-19-33-55(59)67(61)71(53)75)54-42-44-62(68-56-34-20-22-38-60(56)76(64)72(54)68)74(50-31-17-10-18-32-50)70-52(48-27-13-8-14-28-48)36-24-40-66(70)78(4,5)6/h7-46H,1-6H3.

What are the key properties of 13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-6-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-diphenyl-13-N,28-N-bis(2-phenyl-6-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 1035.46 g/mol, XLogP of 19.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-6-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 168724387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).