5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-phenylphenyl)-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

C70H48N2O2Si — CID 140757223

About 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-phenylphenyl)-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-phenylphenyl)-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 140757223) has the molecular formula C70H48N2O2Si and a molecular weight of 977.25 g/mol. Its IUPAC name is 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-phenylphenyl)-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-phenylphenyl)-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: 140757223
• Molecular Formula: C70H48N2O2Si
• Molecular Weight: 977.25 g/mol
• Exact Mass: 976.35
• IUPAC Name: 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-phenylphenyl)-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]1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc2-c2cc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)cc3c3cccc1c23
• InChI: InChI=1S/C70H48N2O2Si/c1-75(2)68-23-13-20-59-60-41-52(71(50-29-24-47(25-30-50)45-14-5-3-6-15-45)53-35-38-66-61(42-53)56-18-9-11-21-64(56)73-66)33-28-49(60)40-63(70(59)68)58-37-34-55(44-69(58)75)72(51-31-26-48(27-32-51)46-16-7-4-8-17-46)54-36-39-67-62(43-54)57-19-10-12-22-65(57)74-67/h3-44H,1-2H3
• InChIKey: CUKKAMDCILPPGM-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.25
LogP ≤ 5	18.87
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-phenylphenyl)-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-phenylphenyl)-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 140757223) is 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-phenylphenyl)-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-phenylphenyl)-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-phenylphenyl)-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]1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc2-c2cc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)cc3c3cccc1c23.

What is the InChIKey of 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-phenylphenyl)-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 CUKKAMDCILPPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O2Si/c1-75(2)68-23-13-20-59-60-41-52(71(50-29-24-47(25-30-50)45-14-5-3-6-15-45)53-35-38-66-61(42-53)56-18-9-11-21-64(56)73-66)33-28-49(60)40-63(70(59)68)58-37-34-55(44-69(58)75)72(51-31-26-48(27-32-51)46-16-7-4-8-17-46)54-36-39-67-62(43-54)57-19-10-12-22-65(57)74-67/h3-44H,1-2H3.

What are the key properties of 5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N-bis(4-phenylphenyl)-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-phenylphenyl)-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 977.25 g/mol, XLogP of 18.87, 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-phenylphenyl)-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 140757223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).