14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine

C64H55N3Si — CID 159366131

About 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine

14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine (PubChem CID 159366131) has the molecular formula C64H55N3Si and a molecular weight of 894.25 g/mol. Its IUPAC name is 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine.

Molecular Properties

• Compound Name: 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
• PubChem CID: 159366131
• Molecular Formula: C64H55N3Si
• Molecular Weight: 894.25 g/mol
• Exact Mass: 893.42
• IUPAC Name: 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc3cc4c5cc(-c6ccc(C(C)(C)C)cc6)cc6c7cc8ccc(N(c9ccccc9)c9ccc([Si](C)(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1
• InChI: InChI=1S/C64H55N3Si/c1-42-18-26-52(27-19-42)65(50-14-10-8-11-15-50)54-28-22-44-36-57-59-38-48(43-20-24-49(25-21-43)64(2,3)4)39-60-58-37-45-23-29-55(35-47(45)41-62(58)67(63(59)60)61(57)40-46(44)34-54)66(51-16-12-9-13-17-51)53-30-32-56(33-31-53)68(5,6)7/h8-41H,1-7H3
• InChIKey: DJOVBSIYJOAUJI-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 10.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.25
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The IUPAC name of 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine (CID 159366131) is 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine.

What is the SMILES notation for 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The canonical SMILES for 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine is Cc1ccc(N(c2ccccc2)c2ccc3cc4c5cc(-c6ccc(C(C)(C)C)cc6)cc6c7cc8ccc(N(c9ccccc9)c9ccc([Si](C)(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.

What is the InChIKey of 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The InChIKey is DJOVBSIYJOAUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N3Si/c1-42-18-26-52(27-19-42)65(50-14-10-8-11-15-50)54-28-22-44-36-57-59-38-48(43-20-24-49(25-21-43)64(2,3)4)39-60-58-37-45-23-29-55(35-47(45)41-62(58)67(63(59)60)61(57)40-46(44)34-54)66(51-16-12-9-13-17-51)53-30-32-56(33-31-53)68(5,6)7/h8-41H,1-7H3.

What are the key properties of 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine has a molecular weight of 894.25 g/mol, XLogP of 17.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-tert-butylphenyl)-22-N-(4-methylphenyl)-6-N,22-N-diphenyl-6-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine is sourced from PubChem (CID 159366131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).