5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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

C66H58N2O2Si2 — CID 158401253

About 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 158401253) has the molecular formula C66H58N2O2Si2 and a molecular weight of 967.37 g/mol. Its IUPAC name is 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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: 158401253
• Molecular Formula: C66H58N2O2Si2
• Molecular Weight: 967.37 g/mol
• Exact Mass: 966.40
• IUPAC Name: 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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: Cc1c2c3c(cccc3c3cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3ccccc34)ccc1-2
• InChI: InChI=1S/C66H58N2O2Si2/c1-41-48-37-31-44(67(42-27-33-46(34-28-42)71(4,5)6)58-23-15-20-52-49-17-10-12-25-60(49)69-64(52)58)39-55(48)51-19-14-22-56-63(51)62(41)54-38-32-45(40-57(54)66(56,2)3)68(43-29-35-47(36-30-43)72(7,8)9)59-24-16-21-53-50-18-11-13-26-61(50)70-65(53)59/h10-40H,1-9H3
• InChIKey: AYYLJPCRMYZAAW-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.37
LogP ≤ 5	18.44
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-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 158401253) is 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 Cc1c2c3c(cccc3c3cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3ccccc34)ccc1-2.

What is the InChIKey of 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 AYYLJPCRMYZAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H58N2O2Si2/c1-41-48-37-31-44(67(42-27-33-46(34-28-42)71(4,5)6)58-23-15-20-52-49-17-10-12-25-60(49)69-64(52)58)39-55(48)51-19-14-22-56-63(51)62(41)54-38-32-45(40-57(54)66(56,2)3)68(43-29-35-47(36-30-43)72(7,8)9)59-24-16-21-53-50-18-11-13-26-61(50)70-65(53)59/h10-40H,1-9H3.

What are the key properties of 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 967.37 g/mol, XLogP of 18.44, 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-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 158401253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).