(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane

C81H55N5Si — CID 177070136

About (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane

(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane (PubChem CID 177070136) has the molecular formula C81H55N5Si and a molecular weight of 1176.76 g/mol. Its IUPAC name is (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane.

Molecular Properties

• Compound Name: (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane
• PubChem CID: 177070136
• Molecular Formula: C81H55N5Si
• Molecular Weight: 1176.76 g/mol
• Exact Mass: 1175.74
• IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([Si](c3c([2H])c([2H])c([2H])c([2H])c3[2H])(c3c([2H])c([2H])c(-c4ccccc4)c([2H])c3[2H])c3c([2H])c([2H])c([2H])c(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)nc(-n5c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c6c6c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c([2H])c65)n4)c3[2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C81H55N5Si/c1-6-24-56(25-7-1)60-44-48-66(49-45-60)87(65-34-14-5-15-35-65,67-36-22-32-61(52-67)57-26-8-2-9-27-57)68-37-23-33-64(53-68)79-82-80(71-40-18-21-43-76(71)85-74-41-19-16-38-69(74)70-39-17-20-42-75(70)85)84-81(83-79)86-77-50-46-62(58-28-10-3-11-29-58)54-72(77)73-55-63(47-51-78(73)86)59-30-12-4-13-31-59/h1-55H/i2D,3D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,46D,47D,48D,49D,50D,51D,52D,53D,54D,55D
• InChIKey: KHGPHNSZVCPPCS-LGGCURIYSA-N
• XLogP: 17.45
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.76
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane?

The IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane (CID 177070136) is (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane.

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

The canonical SMILES for (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([Si](c3c([2H])c([2H])c([2H])c([2H])c3[2H])(c3c([2H])c([2H])c(-c4ccccc4)c([2H])c3[2H])c3c([2H])c([2H])c([2H])c(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)nc(-n5c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c6c6c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c([2H])c65)n4)c3[2H])c2[2H])c([2H])c1[2H].

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

The InChIKey is KHGPHNSZVCPPCS-LGGCURIYSA-N. The full InChI is InChI=1S/C81H55N5Si/c1-6-24-56(25-7-1)60-44-48-66(49-45-60)87(65-34-14-5-15-35-65,67-36-22-32-61(52-67)57-26-8-2-9-27-57)68-37-23-33-64(53-68)79-82-80(71-40-18-21-43-76(71)85-74-41-19-16-38-69(74)70-39-17-20-42-75(70)85)84-81(83-79)86-77-50-46-62(58-28-10-3-11-29-58)54-72(77)73-55-63(47-51-78(73)86)59-30-12-4-13-31-59/h1-55H/i2D,3D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,46D,47D,48D,49D,50D,51D,52D,53D,54D,55D.

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

(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane has a molecular weight of 1176.76 g/mol, XLogP of 17.45, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[4-[1,2,4,5,7,8-hexadeuterio-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,5,6-tetradeuterio-4-phenylphenyl)silane is sourced from PubChem (CID 177070136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).