5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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

C64H56N2O2Si3 — CID 140756957

About 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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

5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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 140756957) has the molecular formula C64H56N2O2Si3 and a molecular weight of 969.42 g/mol. Its IUPAC name is 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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: 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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: 140756957
• Molecular Formula: C64H56N2O2Si3
• Molecular Weight: 969.42 g/mol
• Exact Mass: 968.36
• IUPAC Name: 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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(c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc5oc6ccccc6c5c3)cc24)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C64H56N2O2Si3/c1-69(2,3)48-29-22-42(23-30-48)65(45-27-34-60-55(38-45)50-14-9-11-17-58(50)67-60)44-21-20-41-36-57-52-33-26-47(40-63(52)71(7,8)62-19-13-16-53(64(57)62)54(41)37-44)66(43-24-31-49(32-25-43)70(4,5)6)46-28-35-61-56(39-46)51-15-10-12-18-59(51)68-61/h9-40H,1-8H3
• InChIKey: LPAOFHJXLIQXNC-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.42
LogP ≤ 5	16.62
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 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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 140756957) is 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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(c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc5oc6ccccc6c5c3)cc24)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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 LPAOFHJXLIQXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2O2Si3/c1-69(2,3)48-29-22-42(23-30-48)65(45-27-34-60-55(38-45)50-14-9-11-17-58(50)67-60)44-21-20-41-36-57-52-33-26-47(40-63(52)71(7,8)62-19-13-16-53(64(57)62)54(41)37-44)66(43-24-31-49(32-25-43)70(4,5)6)46-28-35-61-56(39-46)51-15-10-12-18-59(51)68-61/h9-40H,1-8H3.

What are the key properties of 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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?

5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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 969.42 g/mol, XLogP of 16.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[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 140756957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).