12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C64H57N3OSi2 — CID 153487441

About 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 153487441) has the molecular formula C64H57N3OSi2 and a molecular weight of 940.35 g/mol. Its IUPAC name is 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

• Compound Name: 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
• PubChem CID: 153487441
• Molecular Formula: C64H57N3OSi2
• Molecular Weight: 940.35 g/mol
• Exact Mass: 939.40
• IUPAC Name: 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
• SMILES: Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C64H57N3OSi2/c1-42-24-28-44(29-25-42)65(46-32-36-48(37-33-46)69(3,4)5)57-40-59-62(53-19-11-9-16-50(53)57)63-54-20-12-10-17-51(54)58(66(45-30-26-43(2)27-31-45)47-34-38-49(39-35-47)70(6,7)8)41-60(63)67(59)56-22-15-21-55-52-18-13-14-23-61(52)68-64(55)56/h9-41H,1-8H3
• InChIKey: ZFDXGRVTDARICI-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 24.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.35
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The IUPAC name of 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 153487441) is 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

What is the SMILES notation for 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The canonical SMILES for 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The InChIKey is ZFDXGRVTDARICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57N3OSi2/c1-42-24-28-44(29-25-42)65(46-32-36-48(37-33-46)69(3,4)5)57-40-59-62(53-19-11-9-16-50(53)57)63-54-20-12-10-17-51(54)58(66(45-30-26-43(2)27-31-45)47-34-38-49(39-35-47)70(6,7)8)41-60(63)67(59)56-22-15-21-55-52-18-13-14-23-61(52)68-64(55)56/h9-41H,1-8H3.

What are the key properties of 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 940.35 g/mol, XLogP of 17.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 153487441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).