1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine

C122H124BClN4Si2 — CID 163894607

About 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine

1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine (PubChem CID 163894607) has the molecular formula C122H124BClN4Si2 and a molecular weight of 1748.80 g/mol. Its IUPAC name is 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine.

Molecular Properties

• Compound Name: 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine
• PubChem CID: 163894607
• Molecular Formula: C122H124BClN4Si2
• Molecular Weight: 1748.80 g/mol
• Exact Mass: 1746.91
• IUPAC Name: 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine
• SMILES: Cc1cc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2)c(Cl)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cc1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1B3c1cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccc1N2c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C61H61BN2Si.C61H63ClN2Si/c1-42-39-55-58-57(40-42)65(50-19-13-11-14-20-50,51-21-15-12-16-22-51)56-24-18-17-23-52(56)62(58)53-41-49(37-38-54(53)64(55)48-35-29-45(30-36-48)61(8,9)10)63(46-31-25-43(26-32-46)59(2,3)4)47-33-27-44(28-34-47)60(5,6)7;1-44-42-56(58(62)57(43-44)65(53-20-14-11-15-21-53,54-22-16-12-17-23-54)55-24-18-13-19-25-55)64(51-36-30-47(31-37-51)61(8,9)10)52-40-38-50(39-41-52)63(48-32-26-45(27-33-48)59(2,3)4)49-34-28-46(29-35-49)60(5,6)7/h11-41H,1-10H3;11-43H,1-10H3
• InChIKey: QENKGTMSJBTQNE-UHFFFAOYSA-N
• XLogP: 26.21
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1748.80
LogP ≤ 5	26.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The IUPAC name of 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine (CID 163894607) is 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine.

What is the SMILES notation for 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The canonical SMILES for 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine is Cc1cc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2)c(Cl)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cc1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1B3c1cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccc1N2c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The InChIKey is QENKGTMSJBTQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H61BN2Si.C61H63ClN2Si/c1-42-39-55-58-57(40-42)65(50-19-13-11-14-20-50,51-21-15-12-16-22-51)56-24-18-17-23-52(56)62(58)53-41-49(37-38-54(53)64(55)48-35-29-45(30-36-48)61(8,9)10)63(46-31-25-43(26-32-46)59(2,3)4)47-33-27-44(28-34-47)60(5,6)7;1-44-42-56(58(62)57(43-44)65(53-20-14-11-15-21-53,54-22-16-12-17-23-54)55-24-18-13-19-25-55)64(51-36-30-47(31-37-51)61(8,9)10)52-40-38-50(39-41-52)63(48-32-26-45(27-33-48)59(2,3)4)49-34-28-46(29-35-49)60(5,6)7/h11-41H,1-10H3;11-43H,1-10H3.

What are the key properties of 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine has a molecular weight of 1748.80 g/mol, XLogP of 26.21, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,1-N,4-N-tris(4-tert-butylphenyl)-4-N-(2-chloro-5-methyl-3-triphenylsilylphenyl)benzene-1,4-diamine;N,N,8-tris(4-tert-butylphenyl)-11-methyl-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine is sourced from PubChem (CID 163894607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).