1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide

C51H37N5Si — CID 167687279

About 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide

1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide (PubChem CID 167687279) has the molecular formula C51H37N5Si and a molecular weight of 769.11 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide
• PubChem CID: 167687279
• Molecular Formula: C51H37N5Si
• Molecular Weight: 769.11 g/mol
• Exact Mass: 768.41
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide
• SMILES: [H]/N=C(/N=C(\N=Cn1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)n1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)c1cccc([Si](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1
• InChI: InChI=1S/C51H37N5Si/c52-50(37-19-18-26-41(35-37)57(38-20-4-1-5-21-38,39-22-6-2-7-23-39)40-24-8-3-9-25-40)54-51(56-48-33-16-12-29-44(48)45-30-13-17-34-49(45)56)53-36-55-46-31-14-10-27-42(46)43-28-11-15-32-47(43)55/h1-36,52H/b52-50+,53-36?,54-51+/i1D,4D,5D,10D,11D,12D,13D,14D,15D,16D,17D,20D,21D,27D,28D,29D,30D,31D,32D,33D,34D
• InChIKey: YRXJNCYNVGJFQS-SUSTWEPUSA-N
• XLogP: 9.09
• TPSA: 58.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.11
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide (CID 167687279) is 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide is [H]/N=C(/N=C(\N=Cn1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)n1c2c([2H])c([2H])c([2H])c([2H])c2c2c([2H])c([2H])c([2H])c([2H])c21)c1cccc([Si](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1.

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide?

The InChIKey is YRXJNCYNVGJFQS-SUSTWEPUSA-N. The full InChI is InChI=1S/C51H37N5Si/c52-50(37-19-18-26-41(35-37)57(38-20-4-1-5-21-38,39-22-6-2-7-23-39)40-24-8-3-9-25-40)54-51(56-48-33-16-12-29-44(48)45-30-13-17-34-49(45)56)53-36-55-46-31-14-10-27-42(46)43-28-11-15-32-47(43)55/h1-36,52H/b52-50+,53-36?,54-51+/i1D,4D,5D,10D,11D,12D,13D,14D,15D,16D,17D,20D,21D,27D,28D,29D,30D,31D,32D,33D,34D.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide?

1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide has a molecular weight of 769.11 g/mol, XLogP of 9.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-N-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methylidene]-N'-[3-[(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilyl]benzenecarboximidoyl]carbazole-9-carboximidamide is sourced from PubChem (CID 167687279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).