9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

C58H52N2O2Si2 — CID 160724691

About 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 160724691) has the molecular formula C58H52N2O2Si2 and a molecular weight of 865.24 g/mol. Its IUPAC name is 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• PubChem CID: 160724691
• Molecular Formula: C58H52N2O2Si2
• Molecular Weight: 865.24 g/mol
• Exact Mass: 864.36
• IUPAC Name: 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2cc3c(cc24)oc2cc4cc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc4cc23)cc1
• InChI: InChI=1S/C58H52N2O2Si2/c1-37-9-15-43(16-10-37)59(44-17-11-38(2)12-18-44)47-19-13-39-31-51-53-35-58-54(36-57(53)61-55(51)33-41(39)29-47)52-32-40-14-20-48(30-42(40)34-56(52)62-58)60(45-21-25-49(26-22-45)63(3,4)5)46-23-27-50(28-24-46)64(6,7)8/h9-36H,1-8H3
• InChIKey: NPMXDMSJJSYJGG-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.24
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The IUPAC name of 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 160724691) is 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2cc3c(cc24)oc2cc4cc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc4cc23)cc1.

What is the InChIKey of 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The InChIKey is NPMXDMSJJSYJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52N2O2Si2/c1-37-9-15-43(16-10-37)59(44-17-11-38(2)12-18-44)47-19-13-39-31-51-53-35-58-54(36-57(53)61-55(51)33-41(39)29-47)52-32-40-14-20-48(30-42(40)34-56(52)62-58)60(45-21-25-49(26-22-45)63(3,4)5)46-23-27-50(28-24-46)64(6,7)8/h9-36H,1-8H3.

What are the key properties of 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 865.24 g/mol, XLogP of 16.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 160724691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).