[4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

C73H50N2Si — CID 166588529

About [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

[4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588529) has the molecular formula C73H50N2Si and a molecular weight of 983.30 g/mol. Its IUPAC name is [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588529
• Molecular Formula: C73H50N2Si
• Molecular Weight: 983.30 g/mol
• Exact Mass: 982.37
• IUPAC Name: [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4c4ccccc4n5-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c32)cc1
• InChI: InChI=1S/C73H50N2Si/c1-6-24-52(25-7-1)73(53-26-8-2-9-27-53)65-39-19-16-34-60(65)62-38-22-37-59(72(62)73)51-44-49-68-64(50-51)61-35-17-20-40-66(61)75(68)70-43-23-42-69-71(70)63-36-18-21-41-67(63)74(69)54-45-47-58(48-46-54)76(55-28-10-3-11-29-55,56-30-12-4-13-31-56)57-32-14-5-15-33-57/h1-50H
• InChIKey: FFPFVVFXRURNFA-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.30
LogP ≤ 5	15.29
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 [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (CID 166588529) is [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is c1ccc(C2(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4c4ccccc4n5-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c32)cc1.

What is the InChIKey of [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is FFPFVVFXRURNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2Si/c1-6-24-52(25-7-1)73(53-26-8-2-9-27-53)65-39-19-16-34-60(65)62-38-22-37-59(72(62)73)51-44-49-68-64(50-51)61-35-17-20-40-66(61)75(68)70-43-23-42-69-71(70)63-36-18-21-41-67(63)74(69)54-45-47-58(48-46-54)76(55-28-10-3-11-29-55,56-30-12-4-13-31-56)57-32-14-5-15-33-57/h1-50H.

What are the key properties of [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

[4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 983.30 g/mol, XLogP of 15.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[3-(9,9-diphenylfluoren-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).