[1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane

C60H42N2Si — CID 171457899

About [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane

[1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane (PubChem CID 171457899) has the molecular formula C60H42N2Si and a molecular weight of 837.21 g/mol. Its IUPAC name is [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
• PubChem CID: 171457899
• Molecular Formula: C60H42N2Si
• Molecular Weight: 837.21 g/mol
• Exact Mass: 836.42
• IUPAC Name: [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-n3c4c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c([2H])c([2H])c65)c([2H])c4c4c(-c5ccccc5)c([2H])c([2H])c([2H])c43)c2)c([2H])c1[2H]
• InChI: InChI=1S/C60H42N2Si/c1-6-20-43(21-7-1)45-24-18-25-46(40-45)62-58-38-36-47(41-55(58)60-52(33-19-35-59(60)62)44-22-8-2-9-23-44)61-56-34-17-16-32-53(56)54-42-51(37-39-57(54)61)63(48-26-10-3-11-27-48,49-28-12-4-13-29-49)50-30-14-5-15-31-50/h1-42H/i1D,6D,7D,16D,17D,19D,20D,21D,32D,33D,34D,35D,36D,37D,38D,39D,41D,42D
• InChIKey: CJYCHJAQWNBLIR-DLCAWUAVSA-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	837.21
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 [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane?

The IUPAC name of [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane (CID 171457899) is [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane.

What is the SMILES notation for [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane?

The canonical SMILES for [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane is [2H]c1c([2H])c([2H])c(-c2cccc(-n3c4c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c([2H])c([2H])c65)c([2H])c4c4c(-c5ccccc5)c([2H])c([2H])c([2H])c43)c2)c([2H])c1[2H].

What is the InChIKey of [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane?

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

What are the key properties of [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane?

[1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane has a molecular weight of 837.21 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 [1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 171457899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).