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

C73H50N2Si — CID 166588808

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

[4-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588808) has the molecular formula C73H50N2Si and a molecular weight of 983.30 g/mol. Its IUPAC name is [4-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588808
• Molecular Formula: C73H50N2Si
• Molecular Weight: 983.30 g/mol
• Exact Mass: 982.37
• IUPAC Name: [4-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c6ccccc6n(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c45)ccc32)cc1
• InChI: InChI=1S/C73H50N2Si/c1-6-23-53(24-7-1)73(54-25-8-2-9-26-54)66-37-19-16-33-60(66)64-49-51(41-47-67(64)73)52-42-48-70-65(50-52)62-35-18-21-39-69(62)75(70)71-40-22-36-63-61-34-17-20-38-68(61)74(72(63)71)55-43-45-59(46-44-55)76(56-27-10-3-11-28-56,57-29-12-4-13-30-57)58-31-14-5-15-32-58/h1-50H
• InChIKey: QHDOLGZMYGZMPI-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-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (CID 166588808) is [4-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c6ccccc6n(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c45)ccc32)cc1.

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

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

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

[4-[1-[3-(9,9-diphenylfluoren-3-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-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).