25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

C61H60N2Si — CID 158718253

About 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (PubChem CID 158718253) has the molecular formula C61H60N2Si and a molecular weight of 849.25 g/mol. Its IUPAC name is 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

Molecular Properties

• Compound Name: 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
• PubChem CID: 158718253
• Molecular Formula: C61H60N2Si
• Molecular Weight: 849.25 g/mol
• Exact Mass: 848.45
• IUPAC Name: 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
• SMILES: Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(C(C)(C)C)(C(C)(C)C)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4cccc([Si](C)(C)C)c4)ccc23)c1
• InChI: InChI=1S/C61H60N2Si/c1-41-21-19-26-46(35-41)62(44-22-13-11-14-23-44)48-32-31-42-37-55-56(38-43(42)36-48)61(59(2,3)4,60(5,6)7)58-53-34-33-49(40-54(53)51-29-17-18-30-52(51)57(55)58)63(45-24-15-12-16-25-45)47-27-20-28-50(39-47)64(8,9)10/h11-40H,1-10H3
• InChIKey: ABMATHYYEJXGLE-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.25
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The IUPAC name of 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (CID 158718253) is 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

What is the SMILES notation for 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The canonical SMILES for 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(C(C)(C)C)(C(C)(C)C)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4cccc([Si](C)(C)C)c4)ccc23)c1.

What is the InChIKey of 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The InChIKey is ABMATHYYEJXGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N2Si/c1-41-21-19-26-46(35-41)62(44-22-13-11-14-23-44)48-32-31-42-37-55-56(38-43(42)36-48)61(59(2,3)4,60(5,6)7)58-53-34-33-49(40-54(53)51-29-17-18-30-52(51)57(55)58)63(45-24-15-12-16-25-45)47-27-20-28-50(39-47)64(8,9)10/h11-40H,1-10H3.

What are the key properties of 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine has a molecular weight of 849.25 g/mol, XLogP of 17.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is sourced from PubChem (CID 158718253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).