[3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C72H48N4Si — CID 171405539

About [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 171405539) has the molecular formula C72H48N4Si and a molecular weight of 997.29 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 171405539
• Molecular Formula: C72H48N4Si
• Molecular Weight: 997.29 g/mol
• Exact Mass: 996.36
• IUPAC Name: [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c2)cc1
• InChI: InChI=1S/C72H48N4Si/c1-4-24-51(25-5-1)77(52-26-6-2-7-27-52,53-28-8-3-9-29-53)54-30-22-23-49(47-54)74-67-42-21-15-36-60(67)71-69(74)45-46-70(72(71)76-65-40-19-12-33-57(65)58-34-13-20-41-66(58)76)75-64-39-18-14-35-59(64)61-48-50(43-44-68(61)75)73-62-37-16-10-31-55(62)56-32-11-17-38-63(56)73/h1-48H
• InChIKey: SUVULZNCYPPJLX-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.29
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 171405539) is [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c2)cc1.

What is the InChIKey of [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is SUVULZNCYPPJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4Si/c1-4-24-51(25-5-1)77(52-26-6-2-7-27-52,53-28-8-3-9-29-53)54-30-22-23-49(47-54)74-67-42-21-15-36-60(67)71-69(74)45-46-70(72(71)76-65-40-19-12-33-57(65)58-34-13-20-41-66(58)76)75-64-39-18-14-35-59(64)61-48-50(43-44-68(61)75)73-62-37-16-10-31-55(62)56-32-11-17-38-63(56)73/h1-48H.

What are the key properties of [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

[3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 997.29 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 171405539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).