13-N,28-N-diphenyl-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

C72H58N4Si2 — CID 168724345

About 13-N,28-N-diphenyl-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-diphenyl-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 168724345) 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-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-diphenyl-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: 168724345
• 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-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(c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3-c3ccccc3)c3c4ccccc4n5c23)c(-c2ccccc2)c1
• InChI: InChI=1S/C72H58N4Si2/c1-77(2,3)51-35-39-63(57(43-51)47-23-11-7-12-24-47)73(49-27-15-9-16-28-49)65-41-37-53-59-45-68-60(46-67(59)75-61-33-21-19-31-55(61)69(65)71(53)75)54-38-42-66(70-56-32-20-22-34-62(56)76(68)72(54)70)74(50-29-17-10-18-30-50)64-40-36-52(78(4,5)6)44-58(64)48-25-13-8-14-26-48/h7-46H,1-6H3
• InChIKey: SNKFSIHYISHEDD-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-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-diphenyl-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 168724345) is 13-N,28-N-diphenyl-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-diphenyl-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-diphenyl-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(c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3-c3ccccc3)c3c4ccccc4n5c23)c(-c2ccccc2)c1.

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

What are the key properties of 13-N,28-N-diphenyl-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-diphenyl-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 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-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 168724345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).