16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C59H44N2OSSi — CID 140711884

About 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 140711884) has the molecular formula C59H44N2OSSi and a molecular weight of 857.17 g/mol. Its IUPAC name is 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

• Compound Name: 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• PubChem CID: 140711884
• Molecular Formula: C59H44N2OSSi
• Molecular Weight: 857.17 g/mol
• Exact Mass: 856.29
• IUPAC Name: 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cccc4c2c-3cc2ccc(N(c3ccc5oc6ccccc6c5c3)c3ccccc3-c3ccccc3)cc24)cc1
• InChI: InChI=1S/C59H44N2OSSi/c1-64(2,3)46-31-27-42(28-32-46)60(41-17-8-5-9-18-41)45-29-33-49-53-35-40-25-26-43(36-51(40)50-21-14-24-57(59(50)53)63-58(49)38-45)61(54-22-12-10-19-47(54)39-15-6-4-7-16-39)44-30-34-56-52(37-44)48-20-11-13-23-55(48)62-56/h4-38H,1-3H3
• InChIKey: GFMQPVQZMPVETQ-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 19.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.17
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The IUPAC name of 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 140711884) is 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

What is the SMILES notation for 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The canonical SMILES for 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cccc4c2c-3cc2ccc(N(c3ccc5oc6ccccc6c5c3)c3ccccc3-c3ccccc3)cc24)cc1.

What is the InChIKey of 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The InChIKey is GFMQPVQZMPVETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2OSSi/c1-64(2,3)46-31-27-42(28-32-46)60(41-17-8-5-9-18-41)45-29-33-49-53-35-40-25-26-43(36-51(40)50-21-14-24-57(59(50)53)63-58(49)38-45)61(54-22-12-10-19-47(54)39-15-6-4-7-16-39)44-30-34-56-52(37-44)48-20-11-13-23-55(48)62-56/h4-38H,1-3H3.

What are the key properties of 16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

16-N-dibenzofuran-2-yl-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 857.17 g/mol, XLogP of 17.18, 8 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-5-N-phenyl-16-N-(2-phenylphenyl)-5-N-(4-trimethylsilylphenyl)-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 140711884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).