16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

C55H48N2O2Si — CID 140749921

About 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (PubChem CID 140749921) has the molecular formula C55H48N2O2Si and a molecular weight of 797.09 g/mol. Its IUPAC name is 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

Molecular Properties

• Compound Name: 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
• PubChem CID: 140749921
• Molecular Formula: C55H48N2O2Si
• Molecular Weight: 797.09 g/mol
• Exact Mass: 796.35
• IUPAC Name: 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4oc5ccccc5c4c2)ccc1-3
• InChI: InChI=1S/C55H48N2O2Si/c1-54(2)46-33-39(56(35-16-10-8-11-17-35)37-22-27-41(28-23-37)60(5,6)7)24-29-43(46)52-50(54)51-53(59-52)44-30-25-40(34-47(44)55(51,3)4)57(36-18-12-9-13-19-36)38-26-31-49-45(32-38)42-20-14-15-21-48(42)58-49/h8-34H,1-7H3
• InChIKey: QRWZJAAYJQKYQY-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.09
LogP ≤ 5	15.28
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 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The IUPAC name of 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (CID 140749921) is 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

What is the SMILES notation for 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The canonical SMILES for 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4oc5ccccc5c4c2)ccc1-3.

What is the InChIKey of 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The InChIKey is QRWZJAAYJQKYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N2O2Si/c1-54(2)46-33-39(56(35-16-10-8-11-17-35)37-22-27-41(28-23-37)60(5,6)7)24-29-43(46)52-50(54)51-53(59-52)44-30-25-40(34-47(44)55(51,3)4)57(36-18-12-9-13-19-36)38-26-31-49-45(32-38)42-20-14-15-21-48(42)58-49/h8-34H,1-7H3.

What are the key properties of 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine has a molecular weight of 797.09 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is sourced from PubChem (CID 140749921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).