[3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

C73H50N2Si — CID 166588499

About [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

[3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588499) has the molecular formula C73H50N2Si and a molecular weight of 983.30 g/mol. Its IUPAC name is [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588499
• Molecular Formula: C73H50N2Si
• Molecular Weight: 983.30 g/mol
• Exact Mass: 982.37
• IUPAC Name: [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8cccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)c8)c7c6)c5c4)cc32)cc1
• InChI: InChI=1S/C73H50N2Si/c1-6-23-53(24-7-1)73(54-25-8-2-9-26-54)67-38-19-16-35-61(67)62-44-41-51(47-68(62)73)52-42-45-65-63-36-17-21-40-70(63)75(71(65)48-52)56-43-46-66-64-37-18-20-39-69(64)74(72(66)50-56)55-27-22-34-60(49-55)76(57-28-10-3-11-29-57,58-30-12-4-13-31-58)59-32-14-5-15-33-59/h1-50H
• InChIKey: VPUHHHCZMDLUII-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-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (CID 166588499) is [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8cccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)c8)c7c6)c5c4)cc32)cc1.

What is the InChIKey of [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

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

What are the key properties of [3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

[3-[2-[2-(9,9-diphenylfluoren-2-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-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).