10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine

C70H48N4O2Si — CID 158029374

About 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine

10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine (PubChem CID 158029374) has the molecular formula C70H48N4O2Si and a molecular weight of 1005.27 g/mol. Its IUPAC name is 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
• PubChem CID: 158029374
• Molecular Formula: C70H48N4O2Si
• Molecular Weight: 1005.27 g/mol
• Exact Mass: 1004.35
• IUPAC Name: 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
• SMILES: Cc1ccc(N(c2cccc3c2oc2ccccc23)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5ccc([Si](C)(C)C)cc5)c5cccc7c5oc5ccccc57)cccc4n6c23)cc1
• InChI: InChI=1S/C70H48N4O2Si/c1-41-31-33-42(34-32-41)71(59-27-11-19-49-45-15-5-7-29-63(45)75-69(49)59)55-23-13-25-57-65(55)51-21-9-17-47-53-40-62-54(39-61(53)73(57)67(47)51)48-18-10-22-52-66-56(24-14-26-58(66)74(62)68(48)52)72(43-35-37-44(38-36-43)77(2,3)4)60-28-12-20-50-46-16-6-8-30-64(46)76-70(50)60/h5-40H,1-4H3
• InChIKey: SDVGCRSZZJFGAD-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.27
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The IUPAC name of 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine (CID 158029374) is 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine.

What is the SMILES notation for 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The canonical SMILES for 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine is Cc1ccc(N(c2cccc3c2oc2ccccc23)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5ccc([Si](C)(C)C)cc5)c5cccc7c5oc5ccccc57)cccc4n6c23)cc1.

What is the InChIKey of 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The InChIKey is SDVGCRSZZJFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N4O2Si/c1-41-31-33-42(34-32-41)71(59-27-11-19-49-45-15-5-7-29-63(45)75-69(49)59)55-23-13-25-57-65(55)51-21-9-17-47-53-40-62-54(39-61(53)73(57)67(47)51)48-18-10-22-52-66-56(24-14-26-58(66)74(62)68(48)52)72(43-35-37-44(38-36-43)77(2,3)4)60-28-12-20-50-46-16-6-8-30-64(46)76-70(50)60/h5-40H,1-4H3.

What are the key properties of 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine has a molecular weight of 1005.27 g/mol, XLogP of 19.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine is sourced from PubChem (CID 158029374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).