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

C78H64N2Si2 — CID 59220433

About 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]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-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 59220433) has the molecular formula C78H64N2Si2 and a molecular weight of 1085.56 g/mol. Its IUPAC name is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]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-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• PubChem CID: 59220433
• Molecular Formula: C78H64N2Si2
• Molecular Weight: 1085.56 g/mol
• Exact Mass: 1084.46
• IUPAC Name: 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc34)cc21
• InChI: InChI=1S/C78H64N2Si2/c1-77(2)63-27-13-11-24-54(63)56-41-37-49(45-65(56)77)53-23-9-10-26-58(53)76-60-44-40-51(79-67-29-15-19-33-71(67)81(5,6)72-34-20-16-30-68(72)79)47-61(60)75(50-38-42-57-55-25-12-14-28-64(55)78(3,4)66(57)46-50)59-43-39-52(48-62(59)76)80-69-31-17-21-35-73(69)82(7,8)74-36-22-18-32-70(74)80/h9-48H,1-8H3
• InChIKey: KFNSSMBTZHCXMQ-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.56
LogP ≤ 5	18.82
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-[2-(9,9-dimethylfluoren-2-yl)phenyl]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-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 59220433) is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]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-[2-(9,9-dimethylfluoren-2-yl)phenyl]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-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc34)cc21.

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

The InChIKey is KFNSSMBTZHCXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H64N2Si2/c1-77(2)63-27-13-11-24-54(63)56-41-37-49(45-65(56)77)53-23-9-10-26-58(53)76-60-44-40-51(79-67-29-15-19-33-71(67)81(5,6)72-34-20-16-30-68(72)79)47-61(60)75(50-38-42-57-55-25-12-14-28-64(55)78(3,4)66(57)46-50)59-43-39-52(48-62(59)76)80-69-31-17-21-35-73(69)82(7,8)74-36-22-18-32-70(74)80/h9-48H,1-8H3.

What are the key properties of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]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-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 1085.56 g/mol, XLogP of 18.82, 5 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-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 59220433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).