5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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

C65H72N2Si3 — CID 160528307

About 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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

5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 160528307) has the molecular formula C65H72N2Si3 and a molecular weight of 965.56 g/mol. Its IUPAC name is 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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: 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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: 160528307
• Molecular Formula: C65H72N2Si3
• Molecular Weight: 965.56 g/mol
• Exact Mass: 964.50
• IUPAC Name: 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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: Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc3ccc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)cc3cc2C4([Si](C)(C)C)[Si](C)(C)C)cc1
• InChI: InChI=1S/C65H72N2Si3/c1-43(2)46-21-28-51(29-22-46)66(53-33-36-56(37-34-53)68(6,7)8)54-32-25-48-40-61-62(41-49(48)39-54)65(69(9,10)11,70(12,13)14)64-59-38-35-55(42-60(59)57-17-15-16-18-58(57)63(61)64)67(50-26-19-45(5)20-27-50)52-30-23-47(24-31-52)44(3)4/h15-44H,1-14H3
• InChIKey: CLQUCMMZXIRPEM-UHFFFAOYSA-N
• XLogP: 19.21
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.56
LogP ≤ 5	19.21
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-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 160528307) is 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc3ccc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)cc3cc2C4([Si](C)(C)C)[Si](C)(C)C)cc1.

What is the InChIKey of 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 CLQUCMMZXIRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H72N2Si3/c1-43(2)46-21-28-51(29-22-46)66(53-33-36-56(37-34-53)68(6,7)8)54-32-25-48-40-61-62(41-49(48)39-54)65(69(9,10)11,70(12,13)14)64-59-38-35-55(42-60(59)57-17-15-16-18-58(57)63(61)64)67(50-26-19-45(5)20-27-50)52-30-23-47(24-31-52)44(3)4/h15-44H,1-14H3.

What are the key properties of 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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?

5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 965.56 g/mol, XLogP of 19.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-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 160528307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).