bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane

C54H39N3Si — CID 165035122

About bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane

bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane (PubChem CID 165035122) has the molecular formula C54H39N3Si and a molecular weight of 794.23 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane.

Molecular Properties

• Compound Name: bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane
• PubChem CID: 165035122
• Molecular Formula: C54H39N3Si
• Molecular Weight: 794.23 g/mol
• Exact Mass: 793.52
• IUPAC Name: bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c(C)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C54H39N3Si/c1-38-31-33-43(34-32-38)58(41-18-4-2-5-19-41,42-20-6-3-7-21-42)44-22-16-17-39(35-44)40-36-53(56-49-27-12-8-23-45(49)46-24-9-13-28-50(46)56)55-54(37-40)57-51-29-14-10-25-47(51)48-26-11-15-30-52(48)57/h2-37H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D
• InChIKey: SGMJMZUMDZFWCN-QCCRYSIQSA-N
• XLogP: 10.63
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.23
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane?

The IUPAC name of bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane (CID 165035122) is bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane.

What is the SMILES notation for bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane?

The canonical SMILES for bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane is [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c(C)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane?

The InChIKey is SGMJMZUMDZFWCN-QCCRYSIQSA-N. The full InChI is InChI=1S/C54H39N3Si/c1-38-31-33-43(34-32-38)58(41-18-4-2-5-19-41,42-20-6-3-7-21-42)44-22-16-17-39(35-44)40-36-53(56-49-27-12-8-23-45(49)46-24-9-13-28-50(46)56)55-54(37-40)57-51-29-14-10-25-47(51)48-26-11-15-30-52(48)57/h2-37H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D.

What are the key properties of bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane?

bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane has a molecular weight of 794.23 g/mol, XLogP of 10.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3,5-dideuterio-2,6-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-pyridinyl]phenyl]-(2,3,5,6-tetradeuterio-4-methylphenyl)silane is sourced from PubChem (CID 165035122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).