5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine

C66H74N2Si2 — CID 59182602

About 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine

5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine (PubChem CID 59182602) has the molecular formula C66H74N2Si2 and a molecular weight of 951.50 g/mol. Its IUPAC name is 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine.

Molecular Properties

• Compound Name: 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
• PubChem CID: 59182602
• Molecular Formula: C66H74N2Si2
• Molecular Weight: 951.50 g/mol
• Exact Mass: 950.54
• IUPAC Name: 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)[Si](C)(C)c2cc4c5c(cccc5c2-3)[Si](C)(C)c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccc2-4)cc1
• InChI: InChI=1S/C66H74N2Si2/c1-63(2,3)43-20-28-47(29-21-43)67(48-30-22-44(23-31-48)64(4,5)6)51-36-38-53-56-42-60-61(55-18-17-19-57(62(55)56)69(13,14)58(53)40-51)54-39-37-52(41-59(54)70(60,15)16)68(49-32-24-45(25-33-49)65(7,8)9)50-34-26-46(27-35-50)66(10,11)12/h17-42H,1-16H3
• InChIKey: NKXYNHQMGLYTLR-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.50
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?

The IUPAC name of 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine (CID 59182602) is 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine.

What is the SMILES notation for 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?

The canonical SMILES for 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)[Si](C)(C)c2cc4c5c(cccc5c2-3)[Si](C)(C)c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccc2-4)cc1.

What is the InChIKey of 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?

The InChIKey is NKXYNHQMGLYTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H74N2Si2/c1-63(2,3)43-20-28-47(29-21-43)67(48-30-22-44(23-31-48)64(4,5)6)51-36-38-53-56-42-60-61(55-18-17-19-57(62(55)56)69(13,14)58(53)40-51)54-39-37-52(41-59(54)70(60,15)16)68(49-32-24-45(25-33-49)65(7,8)9)50-34-26-46(27-35-50)66(10,11)12/h17-42H,1-16H3.

What are the key properties of 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?

5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine has a molecular weight of 951.50 g/mol, XLogP of 16.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,8,21,21-tetramethyl-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine is sourced from PubChem (CID 59182602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).