14-(4-tert-butylphenyl)-6-N,22-N-diphenyl-6-N,22-N-bis(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

C66H61N3Si2 — CID 140863215

About 14-(4-tert-butylphenyl)-6-N,22-N-diphenyl-6-N,22-N-bis(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)-6-N,22-N-diphenyl-6-N,22-N-bis(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 140863215) has the molecular formula C66H61N3Si2 and a molecular weight of 952.41 g/mol. Its IUPAC name is 14-(4-tert-butylphenyl)-6-N,22-N-diphenyl-6-N,22-N-bis(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)-6-N,22-N-diphenyl-6-N,22-N-bis(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: 140863215
• Molecular Formula: C66H61N3Si2
• Molecular Weight: 952.41 g/mol
• Exact Mass: 951.44
• IUPAC Name: 14-(4-tert-butylphenyl)-6-N,22-N-diphenyl-6-N,22-N-bis(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: CC(C)(C)c1ccc(-c2cc3c4cc5ccc(N(c6ccccc6)c6ccc([Si](C)(C)C)cc6)cc5cc4n4c5cc6cc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)ccc6cc5c(c2)c34)cc1
• InChI: InChI=1S/C66H61N3Si2/c1-66(2,3)50-24-20-44(21-25-50)49-40-61-59-38-45-22-26-55(67(51-16-12-10-13-17-51)53-28-32-57(33-29-53)70(4,5)6)36-47(45)42-63(59)69-64-43-48-37-56(27-23-46(48)39-60(64)62(41-49)65(61)69)68(52-18-14-11-15-19-52)54-30-34-58(35-31-54)71(7,8)9/h10-43H,1-9H3
• InChIKey: RVXYBBBDHZAJKY-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 10.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.41
LogP ≤ 5	18.14
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)-6-N,22-N-diphenyl-6-N,22-N-bis(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)-6-N,22-N-diphenyl-6-N,22-N-bis(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 140863215) is 14-(4-tert-butylphenyl)-6-N,22-N-diphenyl-6-N,22-N-bis(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)-6-N,22-N-diphenyl-6-N,22-N-bis(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)-6-N,22-N-diphenyl-6-N,22-N-bis(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 CC(C)(C)c1ccc(-c2cc3c4cc5ccc(N(c6ccccc6)c6ccc([Si](C)(C)C)cc6)cc5cc4n4c5cc6cc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)ccc6cc5c(c2)c34)cc1.

What is the InChIKey of 14-(4-tert-butylphenyl)-6-N,22-N-diphenyl-6-N,22-N-bis(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 RVXYBBBDHZAJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H61N3Si2/c1-66(2,3)50-24-20-44(21-25-50)49-40-61-59-38-45-22-26-55(67(51-16-12-10-13-17-51)53-28-32-57(33-29-53)70(4,5)6)36-47(45)42-63(59)69-64-43-48-37-56(27-23-46(48)39-60(64)62(41-49)65(61)69)68(52-18-14-11-15-19-52)54-30-34-58(35-31-54)71(7,8)9/h10-43H,1-9H3.

What are the key properties of 14-(4-tert-butylphenyl)-6-N,22-N-diphenyl-6-N,22-N-bis(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)-6-N,22-N-diphenyl-6-N,22-N-bis(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 952.41 g/mol, XLogP of 18.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-tert-butylphenyl)-6-N,22-N-diphenyl-6-N,22-N-bis(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 140863215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).