(11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane

C53H45N3O2Si+2 — CID 174080011

About (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane

(11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane (PubChem CID 174080011) has the molecular formula C53H45N3O2Si+2 and a molecular weight of 784.05 g/mol. Its IUPAC name is (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane.

Molecular Properties

• Compound Name: (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane
• PubChem CID: 174080011
• Molecular Formula: C53H45N3O2Si+2
• Molecular Weight: 784.05 g/mol
• Exact Mass: 783.33
• IUPAC Name: (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane
• SMILES: C=C1CC2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1ccccc1[n+]3-c1cccc3c1oc1ccccc13)c1ccccc1-c1cc(C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C53H45N3O2Si/c1-32-29-45-36-16-7-6-15-35(36)37-27-25-34-26-28-41-39-18-9-13-24-48(39)58-52(41)50(34)53-55(33(2)30-46(37)54(45)31-49(32)59(3,4)5)42-20-10-11-21-43(42)56(53)44-22-14-19-40-38-17-8-12-23-47(38)57-51(40)44/h6-24,26,28-29,31,37,46H,2,25,27,30H2,1,3-5H3/q+2
• InChIKey: VQMJLLNEGARKBP-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 38.97 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.05
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane?

The IUPAC name of (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane (CID 174080011) is (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane.

What is the SMILES notation for (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane?

The canonical SMILES for (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane is C=C1CC2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1ccccc1[n+]3-c1cccc3c1oc1ccccc13)c1ccccc1-c1cc(C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane?

The InChIKey is VQMJLLNEGARKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N3O2Si/c1-32-29-45-36-16-7-6-15-35(36)37-27-25-34-26-28-41-39-18-9-13-24-48(39)58-52(41)50(34)53-55(33(2)30-46(37)54(45)31-49(32)59(3,4)5)42-20-10-11-21-43(42)56(53)44-22-14-19-40-38-17-8-12-23-47(38)57-51(40)44/h6-24,26,28-29,31,37,46H,2,25,27,30H2,1,3-5H3/q+2.

What are the key properties of (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane?

(11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane has a molecular weight of 784.05 g/mol, XLogP of 12.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (11-dibenzofuran-4-yl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane is sourced from PubChem (CID 174080011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).