5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine

C65H52N2Si — CID 162256586

About 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine

5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (PubChem CID 162256586) has the molecular formula C65H52N2Si and a molecular weight of 889.23 g/mol. Its IUPAC name is 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.

Molecular Properties

• Compound Name: 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
• PubChem CID: 162256586
• Molecular Formula: C65H52N2Si
• Molecular Weight: 889.23 g/mol
• Exact Mass: 888.39
• IUPAC Name: 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
• SMILES: Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc2c1C3(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C65H52N2Si/c1-45-23-17-20-34-59(45)66(49-28-13-7-14-29-49)52-39-42-56-58(44-52)54-32-18-19-33-55(54)62-57-40-37-46-43-51(67(50-30-15-8-16-31-50)60-35-21-22-36-61(60)68(2,3)4)38-41-53(46)63(57)65(64(56)62,47-24-9-5-10-25-47)48-26-11-6-12-27-48/h5-44H,1-4H3
• InChIKey: SDVHKWPIGNBMNF-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.23
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 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?

The IUPAC name of 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (CID 162256586) is 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.

What is the SMILES notation for 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?

The canonical SMILES for 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc2c1C3(c1ccccc1)c1ccccc1.

What is the InChIKey of 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?

The InChIKey is SDVHKWPIGNBMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52N2Si/c1-45-23-17-20-34-59(45)66(49-28-13-7-14-29-49)52-39-42-56-58(44-52)54-32-18-19-33-55(54)62-57-40-37-46-43-51(67(50-30-15-8-16-31-50)60-35-21-22-36-61(60)68(2,3)4)38-41-53(46)63(57)65(64(56)62,47-24-9-5-10-25-47)48-26-11-6-12-27-48/h5-44H,1-4H3.

What are the key properties of 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?

5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine has a molecular weight of 889.23 g/mol, XLogP of 17.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is sourced from PubChem (CID 162256586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).