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

C55H40N2Si — CID 88565814

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

[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane (PubChem CID 88565814) has the molecular formula C55H40N2Si and a molecular weight of 771.11 g/mol. Its IUPAC name is [1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane
• PubChem CID: 88565814
• Molecular Formula: C55H40N2Si
• Molecular Weight: 771.11 g/mol
• Exact Mass: 770.38
• IUPAC Name: [1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C)c([2H])c([2H])c1n2-c1cccc(-c2cccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c([2H])c([2H])c43)c2)c1
• InChI: InChI=1S/C55H40N2Si/c1-39-31-33-54-50(35-39)48-27-11-13-29-52(48)56(54)42-19-15-17-40(36-42)41-18-16-20-43(37-41)57-53-30-14-12-28-49(53)51-38-47(32-34-55(51)57)58(44-21-5-2-6-22-44,45-23-7-3-8-24-45)46-25-9-4-10-26-46/h2-38H,1H3/i11D,12D,13D,14D,27D,28D,29D,30D,31D,32D,33D,34D,35D,38D
• InChIKey: DARZLWWHJXBZFH-BQPMGOKXSA-N
• XLogP: 11.23
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.11
LogP ≤ 5	11.23
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-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane?

The IUPAC name of [1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane (CID 88565814) is [1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane.

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

The canonical SMILES for [1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C)c([2H])c([2H])c1n2-c1cccc(-c2cccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c([2H])c([2H])c43)c2)c1.

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

The InChIKey is DARZLWWHJXBZFH-BQPMGOKXSA-N. The full InChI is InChI=1S/C55H40N2Si/c1-39-31-33-54-50(35-39)48-27-11-13-29-52(48)56(54)42-19-15-17-40(36-42)41-18-16-20-43(37-41)57-53-30-14-12-28-49(53)51-38-47(32-34-55(51)57)58(44-21-5-2-6-22-44,45-23-7-3-8-24-45)46-25-9-4-10-26-46/h2-38H,1H3/i11D,12D,13D,14D,27D,28D,29D,30D,31D,32D,33D,34D,35D,38D.

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

[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane has a molecular weight of 771.11 g/mol, XLogP of 11.23, 7 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-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 88565814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).