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

C60H42N2Si — CID 168762468

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

[4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane (PubChem CID 168762468) has the molecular formula C60H42N2Si and a molecular weight of 829.16 g/mol. Its IUPAC name is [4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane
• PubChem CID: 168762468
• Molecular Formula: C60H42N2Si
• Molecular Weight: 829.16 g/mol
• Exact Mass: 828.37
• IUPAC Name: [4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c([2H])c1[2H]
• InChI: InChI=1S/C60H42N2Si/c1-6-22-43(23-7-1)54-41-49(63(46-26-10-3-11-27-46,47-28-12-4-13-29-47)48-30-14-5-15-31-48)42-55(44-24-8-2-9-25-44)60(54)62-58-37-21-18-34-52(58)53-39-38-45(40-59(53)62)61-56-35-19-16-32-50(56)51-33-17-20-36-57(51)61/h1-42H/i1D,2D,6D,7D,8D,9D,22D,23D,24D,25D
• InChIKey: DAIYLVWEDJHZOS-SIPQSSBESA-N
• XLogP: 12.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.16
LogP ≤ 5	12.59
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 [4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane?

The IUPAC name of [4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane (CID 168762468) is [4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane.

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

The canonical SMILES for [4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane is [2H]c1c([2H])c([2H])c(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c([2H])c1[2H].

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

The InChIKey is DAIYLVWEDJHZOS-SIPQSSBESA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-22-43(23-7-1)54-41-49(63(46-26-10-3-11-27-46,47-28-12-4-13-29-47)48-30-14-5-15-31-48)42-55(44-24-8-2-9-25-44)60(54)62-58-37-21-18-34-52(58)53-39-38-45(40-59(53)62)61-56-35-19-16-32-50(56)51-33-17-20-36-57(51)61/h1-42H/i1D,2D,6D,7D,8D,9D,22D,23D,24D,25D.

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

[4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane has a molecular weight of 829.16 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane is sourced from PubChem (CID 168762468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).