N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine

C71H50N2Si — CID 153459019

About N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine (PubChem CID 153459019) has the molecular formula C71H50N2Si and a molecular weight of 959.28 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine
• PubChem CID: 153459019
• Molecular Formula: C71H50N2Si
• Molecular Weight: 959.28 g/mol
• Exact Mass: 958.37
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine
• SMILES: c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C71H50N2Si/c1-6-25-53(26-7-1)71(54-27-8-2-9-28-54)65-38-19-18-36-63(65)64-47-45-57(49-66(64)71)72(56-43-41-52(42-44-56)62-37-22-24-51-23-16-17-35-61(51)62)58-46-48-70-68(50-58)73(55-29-10-3-11-30-55)67-39-20-21-40-69(67)74(70,59-31-12-4-13-32-59)60-33-14-5-15-34-60/h1-50H
• InChIKey: SWWSYRNYHXTXEG-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.28
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine (CID 153459019) is N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine is c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine?

The InChIKey is SWWSYRNYHXTXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N2Si/c1-6-25-53(26-7-1)71(54-27-8-2-9-28-54)65-38-19-18-36-63(65)64-47-45-57(49-66(64)71)72(56-43-41-52(42-44-56)62-37-22-24-51-23-16-17-35-61(51)62)58-46-48-70-68(50-58)73(55-29-10-3-11-30-55)67-39-20-21-40-69(67)74(70,59-31-12-4-13-32-59)60-33-14-5-15-34-60/h1-50H.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine?

N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine has a molecular weight of 959.28 g/mol, XLogP of 15.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine is sourced from PubChem (CID 153459019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).