(3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane

C61H41NSi — CID 169044702

About (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane

(3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane (PubChem CID 169044702) has the molecular formula C61H41NSi and a molecular weight of 816.09 g/mol. Its IUPAC name is (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane.

Molecular Properties

• Compound Name: (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane
• PubChem CID: 169044702
• Molecular Formula: C61H41NSi
• Molecular Weight: 816.09 g/mol
• Exact Mass: 815.30
• IUPAC Name: (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)C43c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C61H41NSi/c1-5-20-42(21-6-1)44-38-45(43-22-7-2-8-23-43)40-49(39-44)63(46-24-9-3-10-25-46,47-26-11-4-12-27-47)48-36-37-56-59(41-48)62-58-35-18-15-30-52(58)53-31-19-34-57(60(53)62)61(56)54-32-16-13-28-50(54)51-29-14-17-33-55(51)61/h1-41H
• InChIKey: GAFISSUFVCUCEH-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.09
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane?

The IUPAC name of (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane (CID 169044702) is (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane.

What is the SMILES notation for (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane?

The canonical SMILES for (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane is c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)C43c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane?

The InChIKey is GAFISSUFVCUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NSi/c1-5-20-42(21-6-1)44-38-45(43-22-7-2-8-23-43)40-49(39-44)63(46-24-9-3-10-25-46,47-26-11-4-12-27-47)48-36-37-56-59(41-48)62-58-35-18-15-30-52(58)53-31-19-34-57(60(53)62)61(56)54-32-16-13-28-50(54)51-29-14-17-33-55(51)61/h1-41H.

What are the key properties of (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane?

(3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane has a molecular weight of 816.09 g/mol, XLogP of 12.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-diphenylphenyl)-diphenyl-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylsilane is sourced from PubChem (CID 169044702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).