5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine

C62H45N3O2Si — CID 160990023

About 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine

5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine (PubChem CID 160990023) has the molecular formula C62H45N3O2Si and a molecular weight of 892.15 g/mol. Its IUPAC name is 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine.

Molecular Properties

• Compound Name: 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine
• PubChem CID: 160990023
• Molecular Formula: C62H45N3O2Si
• Molecular Weight: 892.15 g/mol
• Exact Mass: 891.33
• IUPAC Name: 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine
• SMILES: Cc1cccc2c1oc1cc(N(c3ccccc3)c3ccc4c5cc6ccc(N(c7ccccc7)c7ccc8c(c7)oc7c([Si](C)(C)C)cccc78)cc6c6c7ccccc7n(c4c3)c56)ccc12
• InChI: InChI=1S/C62H45N3O2Si/c1-38-15-13-21-49-47-31-28-45(36-56(47)66-61(38)49)64(41-18-9-6-10-19-41)43-27-30-46-53-33-39-25-26-42(34-52(39)59-51-20-11-12-23-54(51)65(60(53)59)55(46)35-43)63(40-16-7-5-8-17-40)44-29-32-48-50-22-14-24-58(68(2,3)4)62(50)67-57(48)37-44/h5-37H,1-4H3
• InChIKey: VOTWFWRGTVZHEC-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 37.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.15
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine?

The IUPAC name of 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine (CID 160990023) is 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine.

What is the SMILES notation for 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine?

The canonical SMILES for 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine is Cc1cccc2c1oc1cc(N(c3ccccc3)c3ccc4c5cc6ccc(N(c7ccccc7)c7ccc8c(c7)oc7c([Si](C)(C)C)cccc78)cc6c6c7ccccc7n(c4c3)c56)ccc12.

What is the InChIKey of 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine?

The InChIKey is VOTWFWRGTVZHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N3O2Si/c1-38-15-13-21-49-47-31-28-45(36-56(47)66-61(38)49)64(41-18-9-6-10-19-41)43-27-30-46-53-33-39-25-26-42(34-52(39)59-51-20-11-12-23-54(51)65(60(53)59)55(46)35-43)63(40-16-7-5-8-17-40)44-29-32-48-50-22-14-24-58(68(2,3)4)62(50)67-57(48)37-44/h5-37H,1-4H3.

What are the key properties of 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine?

5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine has a molecular weight of 892.15 g/mol, XLogP of 17.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine is sourced from PubChem (CID 160990023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).