4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline

C66H44N2OSi — CID 123205403

About 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline

4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline (PubChem CID 123205403) has the molecular formula C66H44N2OSi and a molecular weight of 909.18 g/mol. Its IUPAC name is 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline.

Molecular Properties

• Compound Name: 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline
• PubChem CID: 123205403
• Molecular Formula: C66H44N2OSi
• Molecular Weight: 909.18 g/mol
• Exact Mass: 908.32
• IUPAC Name: 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C66H44N2OSi/c1-4-16-51(17-5-1)70(52-18-6-2-7-19-52,53-20-8-3-9-21-53)54-41-39-50(40-42-54)67(49-37-32-46(33-38-49)55-24-14-27-61-58-23-11-13-29-64(58)69-66(55)61)48-35-30-45(31-36-48)47-34-43-57-60-26-15-25-59-56-22-10-12-28-62(56)68(65(59)60)63(57)44-47/h1-44H
• InChIKey: ATKATCZMZCPWIQ-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 20.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.18
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline?

The IUPAC name of 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline (CID 123205403) is 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline.

What is the SMILES notation for 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline?

The canonical SMILES for 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.

What is the InChIKey of 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline?

The InChIKey is ATKATCZMZCPWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2OSi/c1-4-16-51(17-5-1)70(52-18-6-2-7-19-52,53-20-8-3-9-21-53)54-41-39-50(40-42-54)67(49-37-32-46(33-38-49)55-24-14-27-61-58-23-11-13-29-64(58)69-66(55)61)48-35-30-45(31-36-48)47-34-43-57-60-26-15-25-59-56-22-10-12-28-62(56)68(65(59)60)63(57)44-47/h1-44H.

What are the key properties of 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline?

4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline has a molecular weight of 909.18 g/mol, XLogP of 14.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline is sourced from PubChem (CID 123205403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).