5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C64H54N2Si2 — CID 59219940

About 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 59219940) has the molecular formula C64H54N2Si2 and a molecular weight of 907.32 g/mol. Its IUPAC name is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• PubChem CID: 59219940
• Molecular Formula: C64H54N2Si2
• Molecular Weight: 907.32 g/mol
• Exact Mass: 906.38
• IUPAC Name: 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• SMILES: Cc1ccc(-c2c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc23)cc1
• InChI: InChI=1S/C64H54N2Si2/c1-41-28-30-42(31-29-41)62-48-36-33-45(66-56-22-12-16-26-60(56)68(6,7)61-27-17-13-23-57(61)66)40-51(48)63(43-32-35-47-46-18-8-9-19-52(46)64(2,3)53(47)38-43)49-37-34-44(39-50(49)62)65-54-20-10-14-24-58(54)67(4,5)59-25-15-11-21-55(59)65/h8-40H,1-7H3
• InChIKey: OMOGGLCORZXWLR-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.32
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 59219940) is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

What is the SMILES notation for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The canonical SMILES for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is Cc1ccc(-c2c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc23)cc1.

What is the InChIKey of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

The InChIKey is OMOGGLCORZXWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N2Si2/c1-41-28-30-42(31-29-41)62-48-36-33-45(66-56-22-12-16-26-60(56)68(6,7)61-27-17-13-23-57(61)66)40-51(48)63(43-32-35-47-46-18-8-9-19-52(46)64(2,3)53(47)38-43)49-37-34-44(39-50(49)62)65-54-20-10-14-24-58(54)67(4,5)59-25-15-11-21-55(59)65/h8-40H,1-7H3.

What are the key properties of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 907.32 g/mol, XLogP of 15.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 59219940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).