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

C73H50N2Si — CID 166588786

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

[3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588786) has the molecular formula C73H50N2Si and a molecular weight of 983.30 g/mol. Its IUPAC name is [3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588786
• Molecular Formula: C73H50N2Si
• Molecular Weight: 983.30 g/mol
• Exact Mass: 982.37
• IUPAC Name: [3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cccc5c4c4ccccc4n5-c4cccc5c6ccccc6n(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c45)cccc32)cc1
• InChI: InChI=1S/C73H50N2Si/c1-6-26-51(27-7-1)73(52-28-8-2-9-29-52)64-44-19-16-39-62(64)70-59(41-23-45-65(70)73)60-42-24-48-68-71(60)63-40-18-21-47-67(63)75(68)69-49-25-43-61-58-38-17-20-46-66(58)74(72(61)69)53-30-22-37-57(50-53)76(54-31-10-3-11-32-54,55-33-12-4-13-34-55)56-35-14-5-15-36-56/h1-50H
• InChIKey: ADOFOTHNWGSAER-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 [3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (CID 166588786) is [3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cccc5c4c4ccccc4n5-c4cccc5c6ccccc6n(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c45)cccc32)cc1.

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

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

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

[3-[1-[4-(9,9-diphenylfluoren-4-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 [3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).