bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

C56H50N2Si — CID 177285415

About bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (PubChem CID 177285415) has the molecular formula C56H50N2Si and a molecular weight of 808.29 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

Molecular Properties

• Compound Name: bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• PubChem CID: 177285415
• Molecular Formula: C56H50N2Si
• Molecular Weight: 808.29 g/mol
• Exact Mass: 807.56
• IUPAC Name: bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• SMILES: [2H]C1=C([2H])C2C(C(n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)=C1[2H])c1c([2H])c([2H])c([2H])c([2H])c1N2c1c([2H])c([2H])c([2H])c([Si](c2ccc3c(c2)C(C)(C)CCC3(C)C)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H]
• InChI: InChI=1S/C56H50N2Si/c1-55(2)35-36-56(3,4)48-38-43(33-34-47(48)55)59(40-20-7-5-8-21-40,41-22-9-6-10-23-41)42-24-17-19-39(37-42)57-51-30-16-13-27-46(51)54-52(57)31-18-32-53(54)58-49-28-14-11-25-44(49)45-26-12-15-29-50(45)58/h5-34,37-38,52,54H,35-36H2,1-4H3/i5D,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,37D
• InChIKey: JPGUMAAXTDPEKW-VLIURSMOSA-N
• XLogP: 11.24
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.29
LogP ≤ 5	11.24
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 bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The IUPAC name of bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (CID 177285415) is bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

What is the SMILES notation for bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The canonical SMILES for bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is [2H]C1=C([2H])C2C(C(n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)=C1[2H])c1c([2H])c([2H])c([2H])c([2H])c1N2c1c([2H])c([2H])c([2H])c([Si](c2ccc3c(c2)C(C)(C)CCC3(C)C)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H].

What is the InChIKey of bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The InChIKey is JPGUMAAXTDPEKW-VLIURSMOSA-N. The full InChI is InChI=1S/C56H50N2Si/c1-55(2)35-36-56(3,4)48-38-43(33-34-47(48)55)59(40-20-7-5-8-21-40,41-22-9-6-10-23-41)42-24-17-19-39(37-42)57-51-30-16-13-27-46(51)54-52(57)31-18-32-53(54)58-49-28-14-11-25-44(49)45-26-12-15-29-50(45)58/h5-34,37-38,52,54H,35-36H2,1-4H3/i5D,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,37D.

What are the key properties of bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

bis(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane has a molecular weight of 808.29 g/mol, XLogP of 11.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 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-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is sourced from PubChem (CID 177285415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).