[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane

C54H38N2Si — CID 164756587

About [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane

[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane (PubChem CID 164756587) has the molecular formula C54H38N2Si and a molecular weight of 753.06 g/mol. Its IUPAC name is [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
• PubChem CID: 164756587
• Molecular Formula: C54H38N2Si
• Molecular Weight: 753.06 g/mol
• Exact Mass: 752.34
• IUPAC Name: [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4c3)c2)c([2H])c1[2H]
• InChI: InChI=1S/C54H38N2Si/c1-5-18-39(19-6-1)40-20-17-27-45(36-40)57(43-23-9-3-10-24-43,44-25-11-4-12-26-44)46-33-34-49-47-28-13-15-30-51(47)56(54(49)38-46)42-32-35-53-50(37-42)48-29-14-16-31-52(48)55(53)41-21-7-2-8-22-41/h1-38H/i1D,2D,5D,6D,7D,8D,18D,19D,21D,22D
• InChIKey: IBRBJGLLGPVZRR-RPJFABSQSA-N
• XLogP: 10.93
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.06
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The IUPAC name of [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane (CID 164756587) is [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane.

What is the SMILES notation for [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The canonical SMILES for [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane is [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4c3)c2)c([2H])c1[2H].

What is the InChIKey of [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The InChIKey is IBRBJGLLGPVZRR-RPJFABSQSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-5-18-39(19-6-1)40-20-17-27-45(36-40)57(43-23-9-3-10-24-43,44-25-11-4-12-26-44)46-33-34-49-47-28-13-15-30-51(47)56(54(49)38-46)42-32-35-53-50(37-42)48-29-14-16-31-52(48)55(53)41-21-7-2-8-22-41/h1-38H/i1D,2D,5D,6D,7D,8D,18D,19D,21D,22D.

What are the key properties of [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane has a molecular weight of 753.06 g/mol, XLogP of 10.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane is sourced from PubChem (CID 164756587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).