20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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

C65H48N2OSSi — CID 140711822

About 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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

20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 140711822) has the molecular formula C65H48N2OSSi and a molecular weight of 934.27 g/mol. Its IUPAC name is 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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: 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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: 140711822
• Molecular Formula: C65H48N2OSSi
• Molecular Weight: 934.27 g/mol
• Exact Mass: 933.33
• IUPAC Name: 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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: [2H]c1c2c3c(cccc3c3cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4ccccc45)ccc13)Sc1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1-2
• InChI: InChI=1S/C65H48N2OSSi/c1-70(2,3)53-37-34-50(35-38-53)67(60-21-12-20-57-54-18-10-11-22-61(54)68-65(57)60)51-33-28-47-40-59-55-39-36-52(42-63(55)69-62-23-13-19-56(64(59)62)58(47)41-51)66(48-29-24-45(25-30-48)43-14-6-4-7-15-43)49-31-26-46(27-32-49)44-16-8-5-9-17-44/h4-42H,1-3H3/i40D
• InChIKey: GUVMJWRMGAEVGW-DAHCPWDWSA-N
• XLogP: 18.84
• TPSA: 19.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.27
LogP ≤ 5	18.84
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 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 140711822) is 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 [2H]c1c2c3c(cccc3c3cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4ccccc45)ccc13)Sc1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1-2.

What is the InChIKey of 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 GUVMJWRMGAEVGW-DAHCPWDWSA-N. The full InChI is InChI=1S/C65H48N2OSSi/c1-70(2,3)53-37-34-50(35-38-53)67(60-21-12-20-57-54-18-10-11-22-61(54)68-65(57)60)51-33-28-47-40-59-55-39-36-52(42-63(55)69-62-23-13-19-56(64(59)62)58(47)41-51)66(48-29-24-45(25-30-48)43-14-6-4-7-15-43)49-31-26-46(27-32-49)44-16-8-5-9-17-44/h4-42H,1-3H3/i40D.

What are the key properties of 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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?

20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 934.27 g/mol, XLogP of 18.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 20-deuterio-16-N-dibenzofuran-4-yl-5-N,5-N-bis(4-phenylphenyl)-16-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 140711822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).